SCHEMBL21725516

SCHEMBL21725516

CCCC(C)c1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
KIF11 P52732 2/20 0.38
AR P10275 10/20 0.37
MRGPRX4 Q96LA9 1/20 0.34
SLC22A12 Q96S37 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL22400171 0.88 TRPV4 (0.44) TRPV4KIF11ARMRGPRX4SLC22A12
SCHEMBL26462816 0.84 TRPV4 (0.41) TRPV4KIF11ARMRGPRX4KDM4E
SCHEMBL12263486 0.81 TRPV4 (0.49) TRPV4KIF11ARMRGPRX4
SCHEMBL18552864 0.80 TRPV4 (0.45) TRPV4KIF11ARMRGPRX4
SCHEMBL18552786 0.80 CYP2A6 (0.35) TRPV4GLAGAA
SCHEMBL27929091 0.78 TRPV4 (0.46) TRPV4KIF11ARMRGPRX4
SCHEMBL25985277 0.78 TRPV4 (0.46) TRPV4KIF11ARMRGPRX4SLC22A12
SCHEMBL21725488 0.78 IDO1 (0.39) ALDH1A1HPGD
SCHEMBL21336611 0.78 CYP2A6 (0.36) TRPV4ARALDH1A1GLA
SCHEMBL24767625 0.77 MEN1 (0.35) TRPV4ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TRPV4 497/4885KIF11 4625/4885AR 413/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 TRPV4 2981/4885KIF11 3220/4885AR 2620/4885

“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.