SCHEMBL21725508

SCHEMBL21725508

CC(C)c1ccc(F)cc1-n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.40
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 4/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
IDO1 P14902 3/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL21840784 0.83 FABP4 (0.42) CYP17A1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8335380 0.78 IDO1 (0.47) CYP17A1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL21725465 0.78 CYP19A1 (0.36) ALDH1A1LMNAMAPTCYP1A2CYP19A1
SCHEMBL10044887 0.77 IDO1 (0.56) CYP3A4ALDH1A1LMNAMAPTCYP1A2
SCHEMBL13997437 0.76 CYP3A4 (0.44) CYP17A1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL13242920 0.76 IDO1 (0.66) CYP17A1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL21859850 0.75 CYP3A4 (0.46) CYP17A1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL27748827 0.75 IDO1 (0.42) CYP17A1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL14121261 0.75 CYP11B1 (0.60) CYP17A1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL6342110 0.75 CYP3A4 (0.45) CYP17A1CYP3A4ALDH1A1LMNAMAPT

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 CYP17A1 1844/4885CYP3A4 2798/4885ALDH1A1 2977/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R CYP17A1 1844/4885CYP3A4 2798/4885ALDH1A1 2977/4885
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP17A1 1844/4885CYP3A4 2798/4885ALDH1A1 2977/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R CYP17A1 1844/4885CYP3A4 2798/4885ALDH1A1 2977/4885
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP17A1 1844/4885CYP3A4 2798/4885ALDH1A1 2977/4885
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R CYP17A1 1844/4885CYP3A4 2798/4885ALDH1A1 2977/4885
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP17A1 1844/4885CYP3A4 2798/4885ALDH1A1 2977/4885

“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.