SCHEMBL16596124

SCHEMBL16596124

CC(=O)C(N)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.78
NPSR1 Q6W5P4 6/20 0.78
HTR1A P08908 5/20 0.78
HTR2A P28223 5/20 0.78
KDM4E B2RXH2 5/20 0.78
HTR2B P41595 4/20 0.78
BLM P54132 4/20 0.78
ALDH1A1 P00352 4/20 0.78
TSHR P16473 4/20 0.78
MAPT P10636 4/20 0.78
LMNA P02545 4/20 0.78
KMT2A Q03164 4/20 0.78
NFKB1 P19838 3/20 0.78
CYP3A4 P08684 3/20 0.78
PMP22 Q01453 3/20 0.78
HTR7 P34969 2/20 0.78
SLC6A4 P31645 2/20 0.78
ADORA3 P0DMS8 1/20 0.78
ALOX15 P16050 1/20 0.78
MTOR P42345 1/20 0.78

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
SCHEMBL13176550 1.00 HTR2C (0.78) HTR2CNPSR1HTR1AHTR2AKDM4E
SCHEMBL24451374 0.88 HTR2A (0.77) HTR2CNPSR1HTR1AHTR2AKDM4E
Oxitriptan SCHEMBL28924441 0.88 NPSR1 (0.95) HTR2CNPSR1HTR1AHTR2AKDM4E
SCHEMBL17640312 0.88 HTR2A (0.77) HTR2CNPSR1HTR1AHTR2AKDM4E
SCHEMBL5066582 0.87 HTR2C (0.80) HTR2CNPSR1HTR1AHTR2AKDM4E
Oxitriptan SCHEMBL21114382 0.87 NPSR1 (1.00) HTR2CNPSR1HTR1AHTR2AKDM4E
Oxitriptan SCHEMBL19871232 0.87 NPSR1 (1.00) HTR2CNPSR1HTR1AHTR2AKDM4E
Oxitriptan SCHEMBL21114383 0.87 NPSR1 (1.00) HTR2CNPSR1HTR1AHTR2AKDM4E
Oxitriptan SCHEMBL1421238 0.87 NPSR1 (1.00) HTR2CNPSR1HTR1AHTR2AKDM4E
Oxitriptan SCHEMBL3033706 0.87 NPSR1 (1.00) HTR2CNPSR1HTR1AHTR2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 EP disclosed
US-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES CELLIX BIO PRIVATE LTD (IN) 2015-10-15 US disclosed
US-20150087697-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCLE PAIN KANDULA MAHESH (IN) 2015-03-26 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-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES KYNU, TKT, SLC5A1 HTR2C 587/4885NPSR1 2757/4885HTR1A 577/4885
US-20150087697-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCLE PAIN TNNC1, MUSK, OPRK1 HTR2C 507/4885NPSR1 161/4885HTR1A 123/4885

“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.