SCHEMBL22072985

SCHEMBL22072985

Clc1ccc2c(c1)CC[C@H]2c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
TRPM4 Q8TD43 1/20 0.44
TRPM5 Q9NZQ8 1/20 0.44
SRD5A1 P18405 4/20 0.43
SIGMAR1 Q99720 1/20 0.42
PDGFRA P16234 1/20 0.41
PRKACA P17612 1/20 0.41
KDR P35968 1/20 0.41
CDK8 P49336 1/20 0.41
CDK9 P50750 1/20 0.41
ROCK1 Q13464 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
SRD5A2 P31213 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL27909263 1.00 KDM1A (0.49) KDM1AMAOAMAOBIGF1RALOX15
SCHEMBL24899246 1.00 KDM1A (0.49) KDM1AMAOAMAOBIGF1RALOX15
SCHEMBL5709365 0.89 SRD5A1 (0.45) KDM1ASRD5A1SRD5A2CYP17A1CYP3A4
SCHEMBL8528885 0.83 ESR1 (0.45) KDM1AIGF1RALOX15SRD5A1SRD5A2
SCHEMBL8224504 0.83 IGF1R (0.55) IGF1RALOX15
SCHEMBL5709417 0.79 PRCP (0.56) SIGMAR1
SCHEMBL503849 0.77 SIGMAR1 (0.62) KDM1AMAOAMAOBIGF1RALOX15
SCHEMBL29390302 0.77 SIGMAR1 (0.62) KDM1AMAOAMAOBIGF1RALOX15
Alcohol SCHEMBL27680722 0.77 CYP3A4 (0.50) TRPM5CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL9193257 0.77 DRD1 (0.67) ALOX15SIGMAR1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-103209949-B Halogenated indenones and process for producing optically active indanones or optically active indanols using the same 株式会社钟化 2016-08-10 CN 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 (1 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-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 KDM1A 179/4885MAOA 2804/4885MAOB 2465/4885

“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.