SCHEMBL22096848

SCHEMBL22096848

CC(C)(C)c1c(N)c(C#N)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.39
TRPV4 Q9HBA0 2/20 0.36
ADRB2 P07550 3/20 0.35
ADRB1 P08588 1/20 0.35
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL2419004 0.81 KHK (0.46) KHKTRPV4ADRB2ADRB1CYP11B1
SCHEMBL10474259 0.76 KHK (0.42) KHKTRPV4ADRB2ADRB1CYP11B1
SCHEMBL26697124 0.72 KHK (0.42) KHKTRPV4ADRB2ADRB1CYP11B1
SCHEMBL19769015 0.71 ADRB2 (0.41) KHKTRPV4ADRB2ADRB1CYP11B1
SCHEMBL25991361 0.69 TRPV4 (0.45) KHKTRPV4CYP11B1CYP11B2
SCHEMBL404723 0.69 ADRB2 (0.45) KHKTRPV4ADRB2ADRB1CYP11B1
SCHEMBL809090 0.69 TRPV4 (0.48) KHKTRPV4CYP11B1CYP11B2
SCHEMBL31588414 0.69 TRPV4 (0.48) KHKTRPV4CYP11B1CYP11B2
SCHEMBL9889145 0.69 CA1 (0.33)
SCHEMBL25436881 0.69 TRPV4 (0.43) KHKTRPV4CYP11B1CYP11B2

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-10875839-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
US-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-06-18 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-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 KHK 2768/4885TRPV4 1233/4885ADRB2 264/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 KHK 2768/4885TRPV4 1233/4885ADRB2 264/4885

“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.