SCHEMBL5250469

SCHEMBL5250469

Cc1cc(O)c2cccc(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.77
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
NR4A2 P43354 1/20 0.42
CD38 P28907 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5246749 0.87 CRHR1 (1.00) CRHR1HSP90AA1HSP90AB1NR4A2MAPT
SCHEMBL6726554 0.86 CRHR1 (1.00) CRHR1HSP90AA1HSP90AB1NR4A2KDM4E
SCHEMBL6340859 0.82 CRHR1 (0.56) CRHR1HSP90AA1HSP90AB1KDM4EMAPT
SCHEMBL1026984 0.79 NR4A2 (0.65) CRHR1HSP90AA1NR4A2CD38KDM4E
SCHEMBL5210888 0.78 CRHR1 (0.48) CRHR1HSP90AA1HSP90AB1MAPT
SCHEMBL6722252 0.77 CRHR1 (1.00) CRHR1
SCHEMBL7076625 0.76 CRHR1 (0.65) CRHR1NR4A2
SCHEMBL6306407 0.72 CRHR1 (0.60) CRHR1KDM4E
SCHEMBL6215236 0.72 TP53 (0.54) NR4A2KDM4EMAPTL3MBTL1POLB
SCHEMBL6834172 0.71 CRHR1 (0.63) CRHR1

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
EP-1299378-B1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2007-02-14 EP disclosed
US-7160900-B2 Tetrahydropyridino or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-09 US disclosed
US-6852732-B2 Tetrahydropyridino or piperidino heterocylic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-20040121998-A1 CRF antagonistic quino- and quinazolines NEUROCRINE BIOSCIENCES, INC. 2004-06-24 US disclosed
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-02-19 US disclosed
EP-1299378-A4 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2004-01-28 EP disclosed
EP-0977737-B1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
US-6610678-B2 Corticotropin-releasing factor antagonists; treating endocrine, psychiatric or neurologic disorders HUANG CHARLES (US) 2003-08-26 US disclosed
US-20030119818-A1 CRF antagonistic quino-and quinazolines HUANG CHARLES (US) 2003-06-26 US disclosed
EP-1299378-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES Taisho Pharmaceutical Co. Ltd. (JP) 2003-04-09 EP disclosed
US-6482836-B1 CRF antagonistic quino- and quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-19 US disclosed
WO-2002002549-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-01-10 WO disclosed
EP-0977737-A1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2000-02-09 EP disclosed
WO-1998047874-A1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-29 WO 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-20030119818-A1 CRF antagonistic quino-and quinazolines CRHR1, HTR6, CRH CRHR1 1/4885HSP90AA1 1830/4885HSP90AB1 2392/4885
US-20040121998-A1 CRF antagonistic quino- and quinazolines CRHR1, HTR6, CRH CRHR1 1/4885HSP90AA1 1830/4885HSP90AB1 2392/4885
US-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives CRHR1, CRHR2, VIPR1 CRHR1 1/4885HSP90AA1 1243/4885HSP90AB1 1847/4885
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives CRHR1, CRHR2, AGTR1 CRHR1 1/4885HSP90AA1 1241/4885HSP90AB1 1694/4885

“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.