SCHEMBL5246749

SCHEMBL5246749

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 1.00
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
NR4A2 P43354 1/20 0.45
HSD11B1 P28845 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
SCHEMBL6726554 0.90 CRHR1 (1.00) CRHR1MAPTL3MBTL1HSP90AA1HSP90AB1
SCHEMBL5250469 0.87 CRHR1 (0.77) CRHR1MAPTL3MBTL1HSP90AA1HSP90AB1
SCHEMBL6722252 0.81 CRHR1 (1.00) CRHR1
SCHEMBL7076625 0.80 CRHR1 (0.65) CRHR1NR4A2
SCHEMBL3063558 0.77 NR4A2 (0.71) CRHR1MAPTL3MBTL1NR4A2
SCHEMBL5206955 0.77 CRHR1 (0.62) CRHR1MAPTL3MBTL1HSP90AA1HSP90AB1
SCHEMBL6025654 0.76 CRHR1 (0.61) CRHR1MAPTL3MBTL1NR4A2
SCHEMBL318514 0.75 MAPT (0.64) CRHR1MAPTL3MBTL1NR4A2
SCHEMBL5246961 0.74 CRHR1 (0.57) CRHR1MAPT
SCHEMBL3364275 0.74 CRHR1 (0.58) CRHR1HSD11B1

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 1/4885MAPT 4672/4885L3MBTL1 4225/4885
US-20040121998-A1 CRF antagonistic quino- and quinazolines CRHR1, HTR6, CRH CRHR1 1/4885MAPT 4672/4885L3MBTL1 4225/4885
US-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives CRHR1, CRHR2, VIPR1 CRHR1 1/4885MAPT 3511/4885L3MBTL1 4725/4885
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives CRHR1, CRHR2, AGTR1 CRHR1 1/4885MAPT 3323/4885L3MBTL1 4592/4885

“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.