SCHEMBL5776563

SCHEMBL5776563

COc1ccc(CC(CCN)c2c3c(nn2C)N(c2c(C)cc(C)cc2C)CCC3)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 3/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LDHA P00338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL5776284 0.85 ALDH1A1 (0.34) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL5776903 0.81
SCHEMBL5044225 0.81
SCHEMBL5522199 0.78 SIGMAR1 (0.31) KDM4ELMNAALDH1A1
SCHEMBL5778491 0.77 CRHR1 (0.33)
SCHEMBL5776560 0.74 KDM4E (0.42) KDM4EPOLBKMT2AALDH1A1
SCHEMBL5046702 0.74 CRHR1 (0.31)
SCHEMBL4702629 0.74 CRHR1 (0.35) KDM4EATMPOLBKMT2ALMNA
SCHEMBL5776557 0.73 CRHR1 (0.35)
SCHEMBL5773501 0.73 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453832-B1 RING FUSED PYRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-09 EP disclosed
US-20060135555-A1 (3,4-Dihydro-1H-isoquinolin-2-yl)-[2-methyl-7-(2,4,6-trimethyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]-methanone; Corticotropin releasing factor (CRF); stress-related illnesses, mood disorders such as depression, major depressive disorder, single episode depression ROCHE PALO ALTO LLC 2006-06-22 US disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 US disclosed
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists LOUGHHEAD DAVID GARRETT (US) 2005-01-20 US disclosed
US-6821984-B2 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES SYNTEX (U.S.A.) LLC 2004-11-23 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 (3 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-20060135555-A1 (3,4-Dihydro-1H-isoquinolin-2-yl)-[2-methyl-7-(2,4,6-trimethyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]-methanone; Corticotropin releasing factor (CRF); stress-related illnesses, mood disorders such as depression, major depressive disorder, single episode depression CRHR1, CRH, CRHR2 KDM4E 1510/4885ATM 3185/4885POLB 3965/4885
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 KDM4E 1214/4885ATM 4702/4885POLB 4388/4885
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R KDM4E 4153/4885ATM 3472/4885POLB 4673/4885

“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.