SCHEMBL23927852

SCHEMBL23927852

COc1cccc2ccn(C[C@@H](C)N(C)C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.42
HTR2A P28223 9/20 0.40
HTR2B P41595 4/20 0.39
FABP4 P15090 1/20 0.36
HTR6 P50406 2/20 0.34
CNR2 P34972 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC22A1 O15245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
PRNP P04156 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 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
SCHEMBL23927854 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BFABP4HTR6
SCHEMBL29780344 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BFABP4HTR6
SCHEMBL7997702 0.82 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL23927940 0.81 HTR2C (0.44) HTR2CHTR2AALDH1A1LMNA
SCHEMBL29780347 0.81 HTR2C (0.44) HTR2CHTR2AALDH1A1LMNA
SCHEMBL23927941 0.81 HTR2C (0.44) HTR2CHTR2AALDH1A1LMNA
SCHEMBL23927911 0.79 HTR2C (0.54) HTR2CHTR2AHTR6ALDH1A1HTR1A
SCHEMBL23927920 0.77 HTR2C (0.70) HTR2CHTR2AHTR2BFABP4HTR6
SCHEMBL23927922 0.77 HTR2C (0.70) HTR2CHTR2AHTR2BFABP4HTR6
SCHEMBL18247631 0.77 CYP19A1 (0.43) HTR2CHTR2AFABP4CNR2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-22 US disclosed
US-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-22 US disclosed
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA CORPORATION 2021-10-28 US disclosed
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA CORPORATION 2021-10-28 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-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders TPH2, AANAT, HTR2C HTR2C 3/4885HTR2A 5/4885HTR2B 11/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C HTR2C 3/4885HTR2A 5/4885HTR2B 11/4885

“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.