SCHEMBL21725664

SCHEMBL21725664

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.42
AR P10275 7/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
NOS2 P35228 2/20 0.38
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GCGR P47871 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
SCHEMBL26463051 0.90 TAS1R3 (0.35) PDE2AARCYP2D6SLC6A2SLC6A4
SCHEMBL18638777 0.84 PDE2A (0.40) PDE2AARCYP2D6SLC6A2SLC6A4
SCHEMBL18896265 0.81 PDE2A (0.45) PDE2AARCYP2D6SLC6A2SLC6A4
SCHEMBL26462829 0.80 ACACB (0.39) PDE2AARCTSSCTSKCYP11B1
SCHEMBL26462841 0.79 CYP2A6 (0.35) CYP11B1CYP11B2
SCHEMBL26466884 0.79 PDE2A (0.62) PDE2ATAS1R3TAS1R1
SCHEMBL26462805 0.78 CYP11B1 (0.36) ARCYP2D6CYP11B1CYP11B2
SCHEMBL30750881 0.78 AR (0.39) PDE2AARCYP2D6SLC6A2SLC6A4
SCHEMBL21725448 0.78 PDE2A (0.55) PDE2ACYP2D6CTSSCTSKTAS1R3
SCHEMBL21725493 0.78 NOS2 (0.42) CYP2D6SLC6A2SLC6A4NOS2

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 5 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-20230126662-A1 SPIROCYCLIC PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-04-27 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 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 (5 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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R PDE2A 1206/4885AR 413/4885CYP2D6 1931/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R PDE2A 1206/4885AR 413/4885CYP2D6 1931/4885
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R PDE2A 1206/4885AR 413/4885CYP2D6 1931/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R PDE2A 1028/4885AR 457/4885CYP2D6 3025/4885
US-20230126662-A1 SPIROCYCLIC PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC2R, MC1R, MC3R PDE2A 831/4885AR 241/4885CYP2D6 2031/4885

“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.