SCHEMBL26418878

SCHEMBL26418878

CC(C)c1cc(C(F)(F)F)cc(C#N)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
CTSS P25774 4/20 0.39
MBOAT4 Q96T53 1/20 0.38
CTSK P43235 2/20 0.35
TACR1 P25103 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 2/20 0.35
DHODH Q02127 1/20 0.33
XDH P47989 1/20 0.33
DGAT1 O75907 1/20 0.32
AR P10275 2/20 0.31
KDM5A P29375 2/20 0.31
SHMT1 P34896 2/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL2336364 0.77 MBOAT4 (0.42) CYP3A4CYP2C19CTSSMBOAT4CTSK
SCHEMBL29349713 0.77 MBOAT4 (0.42) CYP3A4CYP2C19CTSSMBOAT4CTSK
SCHEMBL26420907 0.75 CTSS (0.37) CTSSMBOAT4CTSKTACR1SLC6A4
SCHEMBL13822034 0.74 NOS3 (0.34) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL12413780 0.74 CYP3A4 (0.44) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31297895 0.74 CTSS (0.42) CTSSMBOAT4CTSKTACR1SLC6A4
SCHEMBL13822035 0.74 CYP3A4 (0.58) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL2336311 0.74 CTSS (0.42) CTSSMBOAT4CTSKTACR1SLC6A4
SCHEMBL22725619 0.74 NOS3 (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL24355384 0.73 NOS3 (0.55) CYP3A4CYP2D6TSHRCRHBPCYP2C19

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-20230126662-A1 SPIROCYCLIC PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-04-27 US disclosed
US-20230126662-A1 SPIROCYCLIC PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-04-27 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 (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-20230126662-A1 SPIROCYCLIC PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC2R, MC1R, MC3R CYP3A4 3330/4885CYP2D6 2031/4885TSHR 102/4885

“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.