SCHEMBL5774597

SCHEMBL5774597

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 4/20 0.36
SQOR Q9Y6N5 2/20 0.36
MAPT P10636 4/20 0.36
CDK2 P24941 1/20 0.36
CLK1 P49759 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KMT2A Q03164 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL24089350 0.86 ALDH1A1 (0.43) KDM4EMAPTCDK2CLK1NPSR1
SCHEMBL186585 0.86 TRPV4 (0.52) TRPV4TAAR1KDM4ESQORMAPT
SCHEMBL5777794 0.78 TRPV4 (0.39) TRPV4TAAR1KDM4ESQORMAPT
SCHEMBL2798485 0.78 TAAR1 (0.43) TRPV4TAAR1KDM4ESQORMAPT
Ammonia Solution, Strong SCHEMBL28458763 0.76 TAAR1 (0.42) TRPV4TAAR1KDM4ESQORMAPT
SCHEMBL5774667 0.75 TRPV4 (0.37) TRPV4TAAR1KDM4ESQORMAPT
SCHEMBL16545828 0.75 TRPV4 (0.43) TRPV4KDM4EMAPTNPSR1KMT2A
SCHEMBL15129217 0.74 TRPV4 (0.46) TRPV4KDM4EMAPTALDH1A1CYP11B1
SCHEMBL15821506 0.74 TRPV4 (0.46) TRPV4SLC22A12KDM4EMAPTALDH1A1
SCHEMBL25425757 0.74 TAAR1 (0.45) TAAR1MAPTALDH1A1CYP1A2CYP3A4

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 1501/4885SLC22A12 4016/4885TAAR1 723/4885

“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.