SCHEMBL23927832

SCHEMBL23927832

COc1ccc2ccn(CCN(C)C)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 1.00
HTR2C P28335 3/20 1.00
HTR1D P28221 8/20 0.62
MTNR1A P48039 5/20 0.58
MTNR1B P49286 5/20 0.58
HTR7 P34969 1/20 0.55
HTR6 P50406 1/20 0.49

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
Oxalic Acid SCHEMBL23927874 0.92 HTR2A (0.85) HTR2AHTR2CHTR1DMTNR1AMTNR1B
SCHEMBL3332582 0.89 HTR2C (0.81) HTR2AHTR2CHTR1DMTNR1AMTNR1B
SCHEMBL22946242 0.81 HTR2C (0.68) HTR2AHTR2CMTNR1AMTNR1BHTR7
SCHEMBL8127772 0.81 HTR2C (0.68) HTR2AHTR2CMTNR1AMTNR1BHTR6
SCHEMBL23956097 0.80 HTR2C (0.67) HTR2AHTR2CHTR1DHTR6
SCHEMBL23927885 0.80 HTR2A (0.66) HTR2AHTR2CHTR1DHTR7HTR6
SCHEMBL980885 0.79 HTR2C (0.65) HTR2AHTR2CMTNR1AMTNR1BHTR7
Fumaric Acid SCHEMBL23927936 0.79 HTR2C (0.64) HTR2AHTR2CHTR1DMTNR1AMTNR1B
SCHEMBL13662241 0.79 HTR2C (0.65) HTR2AHTR2CMTNR1AMTNR1BHTR7
SCHEMBL1122347 0.78 HTR2C (0.64) HTR2AHTR2CHTR1DHTR6

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 5 patents. 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
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 (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-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders TPH2, AANAT, HTR2C HTR2A 5/4885HTR2C 3/4885HTR1D 35/4885
US-20220251040-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C HTR2A 5/4885HTR2C 3/4885HTR1D 35/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C HTR2A 5/4885HTR2C 3/4885HTR1D 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.