SCHEMBL4597712

SCHEMBL4597712

Cc1nc(Oc2ccc(C#N)c(F)c2)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
CYP11B1 P15538 7/20 0.39
CYP11B2 P19099 7/20 0.39
SLC22A12 Q96S37 6/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAP4K4 O95819 1/20 0.38
HPGD P15428 1/20 0.37
AR P10275 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL4598575 0.87 HRH3 (0.46) HRH3SLC22A12CYP1A2CYP2C9CYP2C19
SCHEMBL4598354 0.85 AR (0.49) HRH3SLC22A12CYP1A2CYP2C19HPGD
SCHEMBL4596118 0.79 MAP4K4 (0.51) MAP4K4
SCHEMBL4596546 0.75 MAP4K4 (0.37) CYP11B1CYP11B2SLC22A12MAP4K4AR
SCHEMBL4718693 0.75 HRH3 (0.38) HRH3SLC22A12ARPPARG
SCHEMBL5575305 0.74 KDM4E (0.42) CYP1A2CYP2C9CYP2C19MAP4K4HPGD
SCHEMBL4809997 0.73 SLC22A12 (0.47) CYP11B1CYP11B2SLC22A12ARTRPV4
SCHEMBL10535321 0.72 TRPV4 (0.55) CYP11B1CYP11B2SLC22A12ARTRPV4
SCHEMBL5572824 0.72 KDM4E (0.43) CYP1A2CYP2C9CYP2C19MAP4K4HPGD
SCHEMBL4598347 0.72 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 HRH3 482/4885CYP11B1 2093/4885CYP11B2 2246/4885

“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.