SCHEMBL18896265

SCHEMBL18896265

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.45
RORC P51449 1/20 0.41
AR P10275 9/20 0.40
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
NOS2 P35228 2/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KIF11 P52732 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
SCHEMBL18638777 0.88 PDE2A (0.40) PDE2AARCYP2D6SLC6A2SLC6A4
SCHEMBL24618553 0.86 RORC (0.45) RORCARCYP2D6CTSSCTSK
SCHEMBL30750881 0.84 AR (0.39) PDE2AARCYP2D6SLC6A2SLC6A4
SCHEMBL12251086 0.83 PDE2A (0.45) PDE2AARCYP2D6SLC6A2SLC6A4
SCHEMBL21725664 0.81 PDE2A (0.42) PDE2AARCYP2D6SLC6A2SLC6A4
SCHEMBL22693264 0.79 NPC1 (0.37) RORCARCYP2D6
SCHEMBL2759884 0.78 PDE2A (0.51) PDE2ARORCSLC6A4
SCHEMBL16327723 0.77 PDE2A (0.68) PDE2ARORCSLC6A2SLC6A4
SCHEMBL18758241 0.77 PDE2A (0.68) PDE2ARORCSLC6A2SLC6A4
SCHEMBL24417046 0.77 AR (0.40) PDE2AARCYP2D6SLC6A2SLC6A4

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
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 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 PDE2A 1206/4885RORC 316/4885AR 413/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R PDE2A 1028/4885RORC 437/4885AR 457/4885

“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.