SCHEMBL23956118

SCHEMBL23956118

CN(C)CCn1ccc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.59
▸ HTR2A P28223 3/20 0.59
▸ HTR1D P28221 5/20 0.47
▸ HTR6 P50406 2/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.44
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ BPTF Q12830 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41

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
SCHEMBL3332582 0.84 HTR2C (0.81) HTR2CHTR2AHTR1DHTR6SCN9A
SCHEMBL23956099 0.82 HTR2C (0.61) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL23956106 0.80 HTR7 (0.49) TRPV1
SCHEMBL23956079 0.79 HTR2C (0.51) HTR2CHTR2ATRPV1
SCHEMBL23956076 0.79 HTR2C (0.51) HTR2CHTR2ATRPV1
SCHEMBL23956117 0.79 HTR2C (0.60) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL23927877 0.77 HTR7 (0.50) TRPV1NOS3NOS1NOS2
SCHEMBL23956105 0.77 HTR7 (0.53) TRPV1
SCHEMBL29780355 0.77 HTR7 (0.50) TRPV1NOS3NOS1NOS2
SCHEMBL23956081 0.77 HTR2A (0.69) HTR2CHTR2AHTR1DHTR6SCN9A

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 2 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-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 5/4885HTR1D 35/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C HTR2C 3/4885HTR2A 5/4885HTR1D 35/4885

“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.

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