SCHEMBL23927901

SCHEMBL23927901

CN(C)C(CCn1ccc2ccccc21)OC(=O)/C=C/C(=O)OC(CCn1ccc2ccccc21)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
MAPK1 P28482 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL23927824 0.88 KMT2A (0.44) HTR2AHTR2CMAPK1CYP1A2CYP3A4
SCHEMBL23927929 0.71 HTR2C (0.51) HTR2AHTR2C
SCHEMBL23927907 0.71 HTR2C (0.51) HTR2AHTR2C
SCHEMBL23927932 0.71 SLC6A4 (0.36) HTR2AHTR2CLMNAALDH1A1
SCHEMBL23927869 0.71 HTR2C (0.51) HTR2AHTR2CSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL23927937 0.71 HTR2C (0.53) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL16090993 0.71 MAPK1 (0.52) MAPK1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL23927916 0.71 MEN1 (0.44) CYP1A2CYP3A4CYP2C19LMNAKMT2A
SCHEMBL23927878 0.70 DNM1 (0.48) MAPK1LMNAKMT2AMEN1ALDH1A1
Fumaric Acid SCHEMBL23927822 0.70 HTR2C (0.75) HTR2AHTR2CMAPK1CYP1A2CYP3A4

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 HTR2A 5/4885HTR2C 3/4885MAPK1 3757/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C HTR2A 5/4885HTR2C 3/4885MAPK1 3757/4885

“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.