SCHEMBL22871103

SCHEMBL22871103

CC(C)c1ccccc1OC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
HTR1A P08908 3/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NISCH Q9Y2I1 2/20 0.41
EPHX2 P34913 1/20 0.40
HRH1 P35367 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
KAT2B Q92831 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
SCHEMBL15077043 0.92 PDE4A (0.42) ADRA2AADRA2BADRA2CHTR1APDE3B
SCHEMBL22426537 0.91 CARM1 (0.43) ADRA2AADRA2BADRA2CHTR1APDE3B
SCHEMBL17972910 0.91 CARM1 (0.43) ADRA2AADRA2BADRA2CHTR1APDE3B
SCHEMBL3126948 0.88 HTR1A (0.43) ADRA2AADRA2BADRA2CHTR1APDE3B
SCHEMBL10267024 0.88 HRH1 (0.57) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL798745 0.88 KAT2B (0.52) ADRA2AADRA2BADRA2CHTR1APDE3B
SCHEMBL24498617 0.86 MCHR1 (0.48) ADRA2AADRA2BADRA2CHTR1APDE3B
SCHEMBL24498230 0.83 NISCH (0.40) ADRA2AADRA2BADRA2CPDE3BPDE3A
SCHEMBL22024140 0.82 HTR1A (0.40) ADRA2AADRA2BADRA2CHTR1APDE3B
SCHEMBL9913818 0.82 PDE3B (0.38) ADRA2AADRA2BADRA2CHTR1APDE3B

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R ADRA2A 90/4885ADRA2B 109/4885ADRA2C 62/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R ADRA2A 43/4885ADRA2B 74/4885ADRA2C 37/4885
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R ADRA2A 43/4885ADRA2B 74/4885ADRA2C 37/4885

“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.