SCHEMBL5046902

SCHEMBL5046902

Cc1cc(C)c(N2CCCc3c2nn(C)c3C(=O)N2CCc3ccccc3C2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ BCL2 P10415 1/20 0.43
▸ BAD Q92934 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL5039430 0.78 CRHR1 (0.36) POLBTDP1ALDH1A1HTTCYP3A4
SCHEMBL5047003 0.78 POLB (0.48) POLBTDP1MAPT
SCHEMBL5512714 0.76 HTT (0.42) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL5847213 0.75 EPHX2 (0.33) ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL5047392 0.75 ATM (0.42) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL5847217 0.74 TSHR (0.40) ALDH1A1MAPTTSHR
SCHEMBL5039283 0.73 CRHR1 (0.32) POLBTDP1MAPT
SCHEMBL5043187 0.73 CRHR1 (0.37) TSHR
SCHEMBL5039390 0.71 POLB (0.43) POLBTDP1KMT2AMAPTBCL2
SCHEMBL14049594 0.70 MAPT (0.33) POLBTDP1ALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 — — US claimed
EP-1453832-B1 RING FUSED PYRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-09 — — EP claimed
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 claimed
US-6821984-B2 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES SYNTEX (U.S.A.) LLC 2004-11-23 — — US claimed
EP-1453832-A1 RING FUSED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2004-09-08 — — EP claimed
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC 2004-01-08 — — US claimed
WO-2003048160-A1 RING FUSED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 — — WO claimed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 — — US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 — — US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 — — US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 — — US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 — — US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 — — US disclosed
WO-2005077363-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-25 — — WO 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
EP-1453832-A1 RING FUSED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2004-09-08 — — EP disclosed
WO-2004037212-A2 COMPOSITIONS COMPRISING ZOPICLONE DERIVATIVES AND METHODS OF MAKING AND USING THE SAME SEPRACOR, INC. (US) 2004-05-06 — — WO disclosed
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC 2004-01-08 — — US disclosed
WO-2003048160-A1 RING FUSED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 — — 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 (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 POLB 3965/4885CTDSP1 2562/4885TDP1 4136/4885
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R POLB 4673/4885CTDSP1 2704/4885TDP1 4558/4885
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R POLB 4603/4885CTDSP1 2256/4885TDP1 4475/4885

“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.

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