SCHEMBL5777771

SCHEMBL5777771

COc1cc(F)c(C(=O)NC(C)(C)CO)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.45
CNR2 P34972 8/20 0.45
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
GPR35 Q9HC97 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL608628 0.84 CNR2 (0.48) CNR1CNR2RAB9ANPC1ATM
SCHEMBL30798372 0.78 CNR1 (0.48) CNR1CNR2RAB9AKDM4ENPC1
SCHEMBL24718226 0.78 CNR1 (0.48) CNR1CNR2RAB9AKDM4ENPC1
SCHEMBL2886082 0.78 KMT2A (0.49) CNR1CNR2RAB9AGAANPC1
SCHEMBL20257271 0.75 ALDH1A1 (0.49) RAB9AKDM4EGAAALDH1A1NPC1
SCHEMBL24353844 0.75 POLB (0.44) CNR1CNR2RAB9ANPC1ATM
SCHEMBL422365 0.74 CNR1 (0.44) CNR1CNR2RAB9AGAANPC1
SCHEMBL12897088 0.73 CA1 (0.59) CNR1CNR2RAB9AGAAALDH1A1
SCHEMBL6301076 0.72 NPC1 (0.57) RAB9AKDM4EALDH1A1NPC1ATM
SCHEMBL25903326 0.71 TAAR1 (0.41) KDM4EGAAALDH1A1TAAR1

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists PFIZER INC 2004-07-08 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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 (2 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 CNR1 11/4885CNR2 16/4885RAB9A 2043/4885
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists ADRA1A, ADRA1D, ADRB1 CNR1 177/4885CNR2 387/4885RAB9A 2636/4885

“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.