SCHEMBL29780353

SCHEMBL29780353

Cc1cn(CC(C)N(C)C)c2ccc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
HTR2A P28223 2/20 0.38
ICMT O60725 4/20 0.37
PER2 O15055 4/20 0.37
CRY1 Q16526 4/20 0.37
CRY2 Q49AN0 4/20 0.37
HTR6 P50406 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HTR3A P46098 5/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL23927868 1.00 HTR2C (0.38) HTR2CHTR2AICMTPER2CRY1
SCHEMBL23927866 1.00 HTR2C (0.38) HTR2CHTR2AICMTPER2CRY1
SCHEMBL8959518 0.82 PER2 (0.40) HTR2CHTR2AICMTPER2CRY1
SCHEMBL9228920 0.82 HTR2C (0.56) HTR2CHTR2A
SCHEMBL8959520 0.82 PER2 (0.40) HTR2CHTR2AICMTPER2CRY1
SCHEMBL23927894 0.82 HTR3A (0.36) HTR2CHTR2AICMTPER2CRY1
SCHEMBL23927897 0.82 HTR3A (0.36) HTR2CHTR2AICMTPER2CRY1
SCHEMBL29780354 0.82 HTR3A (0.36) HTR2CHTR2AICMTPER2CRY1
SCHEMBL23927892 0.81 HTR6 (0.45) HTR2CHTR6
SCHEMBL23927889 0.81 HTR6 (0.45) HTR2CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251040-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-08-11 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 (1 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-20220251040-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C HTR2C 3/4885HTR2A 5/4885ICMT 904/4885

“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.