SCHEMBL23956099

SCHEMBL23956099

CN(C)CCn1ccc2cc(OC(F)(F)F)c(OC(F)(F)F)cc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.61
▸ HTR2A P28223 3/20 0.61
▸ HTR1D P28221 9/20 0.48
▸ HTR6 P50406 4/20 0.44
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ NOS2 P35228 1/20 0.38

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
SCHEMBL23956097 0.82 HTR2C (0.67) HTR2CHTR2AHTR1DHTR6
SCHEMBL23956118 0.82 HTR2C (0.59) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL23956075 0.78 HTR2C (0.42) HTR2CHTR2A
SCHEMBL23956131 0.78 HTR2C (0.42) HTR2CHTR2A
SCHEMBL23956082 0.76 HTR2C (1.00) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL23956117 0.74 HTR2C (0.60) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL8128635 0.74 HTR2A (0.56) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL23956080 0.72 HTR2C (0.69) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL23956081 0.72 HTR2A (0.69) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL3332582 0.71 HTR2C (0.81) HTR2CHTR2AHTR1DHTR6EGFR

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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