SCHEMBL5844041

SCHEMBL5844041

Cc1cc(C)c(C(C#N)c2nc(C)nc(Cl)c2C)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8806694 0.64 CRHR1 (0.35) ALDH1A1L3MBTL1MAPT
SCHEMBL5843802 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6094118 0.64 MAPT (0.44) GAAALDH1A1L3MBTL1MAPTTDP1
SCHEMBL7005507 0.61 ATM (0.50)
SCHEMBL18093452 0.60 ALDH1A1 (0.42) GAAALDH1A1L3MBTL1MAPTTDP1
SCHEMBL5845283 0.60 CRHR1 (0.48)
SCHEMBL5843498 0.60 HTR1D (0.36) ALDH1A1MAPT
SCHEMBL5843261 0.60 RAPGEF4 (0.47)
SCHEMBL5844046 0.60 CRHR1 (0.38) ALDH1A1MAPTTDP1
SCHEMBL275977 0.60 PDE10A (0.48) ALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 GAA 1321/4885ALDH1A1 4423/4885L3MBTL1 3243/4885

“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.