SCHEMBL6894979

SCHEMBL6894979

O=C(CC1CCCCC1)OCI

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11096063 0.84 L3MBTL1 (0.41) L3MBTL1LMNAKMT2AHPGDEPHX1
SCHEMBL314403 0.79 L3MBTL1 (0.43) L3MBTL1LMNAKMT2AHPGDEPHX1
SCHEMBL3231082 0.79 HPGD (0.47) L3MBTL1LMNAKMT2AHPGDEPHX1
Cyclohexane SCHEMBL28249403 0.79 TDP1 (0.50) L3MBTL1LMNAKMT2AHPGDEPHX1
SCHEMBL18797 0.79 TDP1 (0.50) L3MBTL1LMNAKMT2AHPGDEPHX1
SCHEMBL25311355 0.79 TDP1 (0.50) L3MBTL1LMNAKMT2AHPGDEPHX1
SCHEMBL9134377 0.79 TDP1 (0.50) L3MBTL1LMNAKMT2AHPGDEPHX1
SCHEMBL2779505 0.79 TDP1 (0.50) L3MBTL1LMNAKMT2AHPGDEPHX1
SCHEMBL1784329 0.79 L3MBTL1 (0.47) L3MBTL1LMNAKMT2AHPGDEPHX1
SCHEMBL26914635 0.79 TDP1 (0.50) L3MBTL1LMNAKMT2AHPGDEPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071416-B2 Prodrugs of 4-( (1R, 3S)-6-chloro-3-phenyl-2, 3-dihydro-1H-inden-1-yl)-1,2, 2-trimethylpiperazine and 4-( (1R, 3S)-6-chloro-3-(phenyl-D5)-2, 3-dihydro-1H-inden-1-yl)-2, 2-dimethyl-1 (methyl-D3) piperazine H. LUNDBECK A/S (DK) 2024-08-27 US disclosed
US-20230159478-A1 PRODRUGS OF 4- ( (1R, 3S) -6-CHLORO-3-PHENYL-2, 3-DIHYDRO-1H-INDEN-1-YL) -1,2, 2-TRIMETHYLPIPERAZINE AND 4- ( (1R, 3S)-6-CHLORO-3- (PHENYL-D5) -2, 3-DIHYDRO-1H-INDEN-1-YL) -2, 2-DIMETHYL-1 (METHYL-D3) PIPERAZINE H. LUNDBECK A/S (DK) 2023-05-25 US disclosed
US-20230159478-A1 PRODRUGS OF 4- ( (1R, 3S) -6-CHLORO-3-PHENYL-2, 3-DIHYDRO-1H-INDEN-1-YL) -1,2, 2-TRIMETHYLPIPERAZINE AND 4- ( (1R, 3S)-6-CHLORO-3- (PHENYL-D5) -2, 3-DIHYDRO-1H-INDEN-1-YL) -2, 2-DIMETHYL-1 (METHYL-D3) PIPERAZINE H. LUNDBECK A/S (DK) 2023-05-25 US disclosed
US-20230159478-A1 PRODRUGS OF 4- ( (1R, 3S) -6-CHLORO-3-PHENYL-2, 3-DIHYDRO-1H-INDEN-1-YL) -1,2, 2-TRIMETHYLPIPERAZINE AND 4- ( (1R, 3S)-6-CHLORO-3- (PHENYL-D5) -2, 3-DIHYDRO-1H-INDEN-1-YL) -2, 2-DIMETHYL-1 (METHYL-D3) PIPERAZINE H. LUNDBECK A/S (DK) 2023-05-25 US disclosed
US-11535600-B2 Prodrugs of 4-((1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine and 4-((1R,3S)-6-chloro-3-(phenyl-d5)-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyl-1-(methyl-d3)piperazine H. LUNDBECK A/S (DK) 2022-12-27 US disclosed
US-11535600-B2 Prodrugs of 4-((1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine and 4-((1R,3S)-6-chloro-3-(phenyl-d5)-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyl-1-(methyl-d3)piperazine H. LUNDBECK A/S (DK) 2022-12-27 US disclosed
US-20220033367-A1 PRODRUGS OF 4-((1R, 3S)-6-CHLORO-3-PHENYL-2,3-DIHYDRO-1H-INDEN-1-Y)-1-,2,2-TRIMETHYLPIPERAZINE AND 4-((1R,3S)-6-CHLORO-3-(PHENYL-D5)-2,3-DIHYDRO-1H-INDEN-1YL)-2,2-DIMETHYL-1 (METHYL-D3)PIPERAZINE H. LUNDBECK A/S (DK) 2022-02-03 US disclosed
US-20220033367-A1 PRODRUGS OF 4-((1R, 3S)-6-CHLORO-3-PHENYL-2,3-DIHYDRO-1H-INDEN-1-Y)-1-,2,2-TRIMETHYLPIPERAZINE AND 4-((1R,3S)-6-CHLORO-3-(PHENYL-D5)-2,3-DIHYDRO-1H-INDEN-1YL)-2,2-DIMETHYL-1 (METHYL-D3)PIPERAZINE H. LUNDBECK A/S (DK) 2022-02-03 US disclosed
EP-3891134-A1 PRODRUGS OF 4-((1R,3S)-6-CHLORO-3-PHENYL-2,3-DIHYDRO-1H-INDEN-1-YL)-1,2,2-TRIMETHYLPIPERAZINE AND 4-((1/R,3S)-6-CHLORO-3-(PHENYL-D5)-2,3-DIHYDRO-1H-INDEN-1-YL)-2,2-DIMETHY-1-(METHYL-D3)PIPERAZINE H. Lundbeck A/S (DK) 2021-10-13 EP disclosed
CN-113056457-A 4- ((1R,3S) -6-chloro-3-phenyl-2, 3-dihydro-1H-inden-1-yl) -1,2, 2-trimethylpiperazine and 4- ((1R,3S) -6-chloro-3- (phenyl-d)5) -2, 3-dihydro-1H-inden-1-yl) -2, 2-dimethyl-1- (methyl-d3) Prodrugs of piperazine H.隆德贝克有限公司 2021-06-29 CN disclosed
WO-2020114853-A1 PRODRUGS OF 4-((1R,3S)-6-CHLORO-3-PHENYL-2,3-DIHYDRO-1H-INDEN-1-YL)-1,2,2-TRIMETHYLPIPERAZINE AND 4-((1/R,3S)-6-CHLORO-3-(PHENYL-D5)-2,3-DIHYDRO-1H-INDEN-1-YL)-2,2-DIMETHY-1-(METHYL-D3)PIPERAZINE H. LUNDBECK A/S (DK) 2020-06-11 WO disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12071416-B2 Prodrugs of 4-( (1R, 3S)-6-chloro-3-phenyl-2, 3-dihydro-1H-inden-1-yl)-1,2, 2-trimethylpiperazine and 4-( (1R, 3S)-6-chloro-3-(phenyl-D5)-2, 3-dihydro-1H-inden-1-yl)-2, 2-dimethyl-1 (methyl-D3) piperazine SIGMAR1, HTR3C, DRD3 L3MBTL1 1710/4885LMNA 3205/4885KMT2A 706/4885
US-20220033367-A1 PRODRUGS OF 4-((1R, 3S)-6-CHLORO-3-PHENYL-2,3-DIHYDRO-1H-INDEN-1-Y)-1-,2,2-TRIMETHYLPIPERAZINE AND 4-((1R,3S)-6-CHLORO-3-(PHENYL-D5)-2,3-DIHYDRO-1H-INDEN-1YL)-2,2-DIMETHYL-1 (METHYL-D3)PIPERAZINE HTR1D, HTR3C, ITPR3 L3MBTL1 1378/4885LMNA 3252/4885KMT2A 438/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 L3MBTL1 2671/4885LMNA 2043/4885KMT2A 3040/4885
US-11535600-B2 Prodrugs of 4-((1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine and 4-((1R,3S)-6-chloro-3-(phenyl-d5)-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyl-1-(methyl-d3)piperazine HTR3C, ITPR3, HTR1D L3MBTL1 1368/4885LMNA 3018/4885KMT2A 482/4885
US-20230159478-A1 PRODRUGS OF 4- ( (1R, 3S) -6-CHLORO-3-PHENYL-2, 3-DIHYDRO-1H-INDEN-1-YL) -1,2, 2-TRIMETHYLPIPERAZINE AND 4- ( (1R, 3S)-6-CHLORO-3- (PHENYL-D5) -2, 3-DIHYDRO-1H-INDEN-1-YL) -2, 2-DIMETHYL-1 (METHYL-D3) PIPERAZINE SIGMAR1, HTR3C, DRD3 L3MBTL1 1710/4885LMNA 3205/4885KMT2A 706/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.