SCHEMBL12717

SCHEMBL12717

C[C@H]1CCCN(Cc2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2D6 P10635 2/20 0.66
ALDH1A1 P00352 2/20 0.66
CYP1A2 P05177 1/20 0.66
ACHE P22303 1/20 0.64
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.52
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HRH2 P25021 1/20 0.51

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
SCHEMBL5304179 1.00 CYP3A4 (0.66) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL13083 1.00 CYP3A4 (0.66) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL5851135 0.95 ACHE (0.62) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL20343616 0.93 ACHE (0.60) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL359069 0.89 ACHE (0.79) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL1286699 0.89 ACHE (0.79) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL358435 0.89 ACHE (0.79) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL14543588 0.86 ACHE (0.86) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL13727922 0.85 GAA (0.58) ALDH1A1KDM4EHRH4HRH3
SCHEMBL82814 0.85 HPGD (0.60) ALDH1A1ACHENPSR1HPGDHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed
WO-2021133750-A1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US disclosed
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 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 (6 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CYP3A4 2235/4885CYP2C19 1822/4885CYP2D6 3472/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CYP3A4 3707/4885CYP2C19 2383/4885CYP2D6 2138/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC CYP3A4 774/4885CYP2C19 879/4885CYP2D6 340/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 CYP3A4 3448/4885CYP2C19 2552/4885CYP2D6 3701/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 CYP3A4 1493/4885CYP2C19 580/4885CYP2D6 597/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 CYP3A4 3448/4885CYP2C19 2552/4885CYP2D6 3701/4885

“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.