SCHEMBL21725529

SCHEMBL21725529

CNc1ccc(C(C)C)c(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
MCHR1 Q99705 2/20 0.32
NOTUM Q6P988 1/20 0.32
XPO1 O14980 1/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAT2A P31153 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL21725531 0.83 ALDH1A1 (0.33) NCF1CYP3A4CYP2C19ALDH1A1CYP1A2
SCHEMBL21725523 0.81 CACNA1C (0.41) CYP3A4CYP2C19CYP1A2NOTUMXPO1
SCHEMBL23717586 0.81 ALDH1A1 (0.31) NCF1CYP3A4CYP2C19ALDH1A1CYP1A2
SCHEMBL25093406 0.76 PTPN1 (0.40)
SCHEMBL12871319 0.76 NOTUM (0.34) CYP3A4CYP2C19NOTUMKDM4ECYP2D6
SCHEMBL23717810 0.76 CYP3A4 (0.37) CYP3A4CYP2C19NOTUMCYP2D6TSHR
SCHEMBL26137557 0.76 CYP3A4 (0.37) CYP3A4CYP2C19NOTUMCYP2D6TSHR
SCHEMBL22871165 0.76 NCF1 (0.39) NCF1CYP3A4CYP2C19ALDH1A1CYP1A2
SCHEMBL29014798 0.76 NCF1 (0.39) NCF1CYP3A4CYP2C19ALDH1A1CYP1A2
SCHEMBL26246984 0.76 APP (0.40) NCF1MCHR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-04-20 US disclosed
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-01-07 US disclosed
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-09-08 US disclosed
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 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 (7 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 NCF1 3036/4885CYP3A4 2798/4885CYP2C19 1504/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R NCF1 3036/4885CYP3A4 2798/4885CYP2C19 1504/4885
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NCF1 3036/4885CYP3A4 2798/4885CYP2C19 1504/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R NCF1 3036/4885CYP3A4 2798/4885CYP2C19 1504/4885
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NCF1 3036/4885CYP3A4 2798/4885CYP2C19 1504/4885
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R NCF1 3036/4885CYP3A4 2798/4885CYP2C19 1504/4885
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NCF1 3036/4885CYP3A4 2798/4885CYP2C19 1504/4885

“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.