SCHEMBL23927928

SCHEMBL23927928

COc1ccc2ncn(CCN(C)C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
HTR2A P28223 4/20 0.58
HTR2C P28335 4/20 0.58
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
DYRK1A Q13627 2/20 0.48
HTR6 P50406 5/20 0.46
HTR2B P41595 1/20 0.44
HASPIN Q8TF76 1/20 0.43
NQO2 P16083 1/20 0.43
QPCT Q16769 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 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
SCHEMBL23927890 0.89 HTR2A (0.55) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL19911346 0.84 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1HPGDMAPK1
SCHEMBL19915706 0.82 MTNR1A (0.51) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL12479984 0.82 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1HPGDMAPK1
SCHEMBL9120412 0.82 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1HPGDMAPK1
SCHEMBL12479232 0.82 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1HPGDMAPK1
SCHEMBL19611398 0.82 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1HPGDMAPK1
SCHEMBL9040429 0.81 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1HPGDMAPK1
SCHEMBL19911358 0.81 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1HPGDMAPK1
SCHEMBL19911360 0.81 MTNR1A (0.52) MTNR1AMTNR1BHTR2AHTR2CALDH1A1

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 MTNR1A 61/4885MTNR1B 70/4885HTR2A 5/4885
US-20220251040-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C MTNR1A 61/4885MTNR1B 70/4885HTR2A 5/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C MTNR1A 61/4885MTNR1B 70/4885HTR2A 5/4885

“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.