SCHEMBL22693264

SCHEMBL22693264

CCC(C)c1ccc(F)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
RORC P51449 1/20 0.33
HSP90AB1 P08238 1/20 0.32
APLNR P35414 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
AR P10275 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
SCHEMBL10105643 0.82 AR (0.39) MAOAMAOBCYP11B1CYP11B2AR
SCHEMBL24767628 0.79 SMN1; SMN2 (0.36) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL21725504 0.79 NOS2 (0.42) ALDH1A1CYP2D6TDP1TSHR
SCHEMBL13813771 0.79 ALDH1A1 (0.40) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL18896265 0.79 PDE2A (0.45) CYP2D6RORCAR
SCHEMBL27660796 0.79 MAOA (0.33) MAOAMAOBCYP11B1CYP11B2AR
SCHEMBL19779475 0.77 TSHR (0.37) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL24618553 0.77 RORC (0.45) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10192295 0.76 AR (0.33) MAOAMAOBCYP11B1CYP11B2AR
SCHEMBL21630187 0.76 FFAR1 (0.40) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19

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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR NPC1 1719/4885ALDH1A1 3942/4885CYP1A2 4313/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R NPC1 1878/4885ALDH1A1 2971/4885CYP1A2 2364/4885

“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.