SCHEMBL6799437

SCHEMBL6799437

CCC(CC)Nc1cc(C)nc(Oc2ccc(C(=O)O)cc2OC)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TTR P02766 2/20 0.41
RECQL P46063 1/20 0.40
HCAR3 P49019 1/20 0.40
CRHR1 P34998 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MELK Q14680 1/20 0.38

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
SCHEMBL6805019 0.92 MAPT (0.40) TSHRRECQLCRHR1HPGDALDH1A1
SCHEMBL6797182 0.91 MAPK1 (0.43) TSHRRECQLCRHR1HPGDALDH1A1
SCHEMBL6798214 0.84 SLC6A4 (0.43) TSHRRECQLCRHR1KDM4E
SCHEMBL6796943 0.84 CRHR1 (0.42) TSHRCRHR1HPGDALDH1A1KDM4E
SCHEMBL6797859 0.74 CRHR1 (0.58) TSHRCRHR1LMNA
SCHEMBL5844580 0.73 CRHR1 (0.72) CRHR1
SCHEMBL6804572 0.72 CRHR1 (0.57) TSHRCRHR1LMNA
SCHEMBL6796886 0.71 GAA (0.41) CRHR1HPGDALDH1A1LMNAMAPT
SCHEMBL6798584 0.71 MGAM (0.42) TSHRCRHR1HPGDALDH1A1KDM4E
SCHEMBL6792226 0.71 RXFP1 (0.41) CRHR1HPGDALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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 (1 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 TSHR 90/4885CA12 3706/4885CA1 2644/4885

“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.