SCHEMBL5777794

SCHEMBL5777794

COc1cc(F)c(C#N)c(I)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SQOR Q9Y6N5 2/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
ADORA1 P30542 3/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL186585 0.86 TRPV4 (0.52) TRPV4TAAR1SQORALDH1A1CYP11B1
SCHEMBL5774597 0.78 TRPV4 (0.39) TRPV4TAAR1SQORALDH1A1CYP11B1
SCHEMBL2798485 0.78 TAAR1 (0.43) TRPV4TAAR1SQORALDH1A1ABCC8
Ammonia Solution, Strong SCHEMBL28458763 0.76 TAAR1 (0.42) TRPV4TAAR1SQORALDH1A1ABCC8
SCHEMBL5774667 0.75 TRPV4 (0.37) TRPV4TAAR1SQORALDH1A1CYP11B1
SCHEMBL26392633 0.75 SQOR (0.41) SQORALDH1A1CYP11B1CYP11B2ADORA1
SCHEMBL27219870 0.74 TRPV4 (0.46) TRPV4ADORA1ADORA2A
SCHEMBL5774070 0.73 ALDH1A1 (0.36) TRPV4TAAR1SQORALDH1A1CYP11B1
SCHEMBL5775046 0.73 TRPV4 (0.35) TRPV4TAAR1SQORALDH1A1CYP11B1
SCHEMBL31619144 0.71 TAAR1 (0.42) TAAR1ALDH1A1CYP1A2CYP1A1CYP1B1

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-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
EP-1483257-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2004-12-08 EP disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 TRPV4 1501/4885TAAR1 723/4885SQOR 525/4885

“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.