SCHEMBL612191

SCHEMBL612191

Ic1cccnc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
HTR2C P28335 4/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PLD1 Q13393 1/20 0.51
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1A P08908 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47

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
Hydrochloric Acid SCHEMBL11062761 0.98 EPHX2 (0.58) EPHX2HTR2CKDM4EALDH1A1PLD1
SCHEMBL16334961 0.83 CYP1A2 (0.53) EPHX2KDM4EALDH1A1
SCHEMBL10495676 0.80 HTR2C (0.68) EPHX2HTR2CKDM4EALDH1A1PLD1
SCHEMBL758632 0.79 CYP1A2 (0.56) KDM4E
SCHEMBL2415357 0.79 EPHX2 (0.59) EPHX2HTR2CKDM4EALDH1A1PLD1
SCHEMBL615931 0.79 EPHX2 (0.59) EPHX2HTR2CKDM4EALDH1A1PLD1
SCHEMBL8415184 0.79 EPHX2 (0.59) EPHX2HTR2CKDM4EALDH1A1PLD1
SCHEMBL18740245 0.79 EPHX2 (0.59) EPHX2HTR2CKDM4EALDH1A1PLD1
SCHEMBL1758382 0.79 EPHX2 (0.64) EPHX2HTR2CKDM4EALDH1A1PLD1
SCHEMBL234597 0.79 EPHX2 (0.59) EPHX2HTR2CKDM4EALDH1A1PLD1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101671297-B Synthesis method of 4- (3-iodine-2-pyridyl) piperazine compound SHANGHAI PHARMATECHS CO LTD 2012-05-09 CN claimed
CN-101671297-A Method for synthesizing 4-(3-iodo-2-pyridinyl) piperazine compound SHANGHAI APPTEC CO LTD 2010-03-17 CN claimed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
CN-101671297-B Synthesis method of 4- (3-iodine-2-pyridyl) piperazine compound SHANGHAI PHARMATECHS CO LTD 2012-05-09 CN disclosed
CN-101671297-B Synthesis method of 4- (3-iodine-2-pyridyl) piperazine compound SHANGHAI PHARMATECHS CO LTD 2012-05-09 CN disclosed
CN-101671297-B Synthesis method of 4- (3-iodine-2-pyridyl) piperazine compound SHANGHAI PHARMATECHS CO LTD 2012-05-09 CN disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US 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 (4 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-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR EPHX2 4562/4885HTR2C 30/4885KDM4E 3161/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR EPHX2 4562/4885HTR2C 30/4885KDM4E 3161/4885
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS EPHX2 3901/4885HTR2C 1590/4885KDM4E 565/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS EPHX2 3901/4885HTR2C 1590/4885KDM4E 565/4885

“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.