SCHEMBL4144327

SCHEMBL4144327

NC[C@@H]1C[C@@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 20/20 1.00
▸ HTR2B P41595 19/20 1.00
▸ HTR2A P28223 14/20 1.00
▸ MAOB P27338 2/20 1.00
▸ SLC6A4 P31645 3/20 0.64
▸ SLC6A3 Q01959 3/20 0.64
▸ SLC6A2 P23975 2/20 0.64

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
SCHEMBL4129782 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL2470140 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL13742111 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
Hydrochloric Acid SCHEMBL4135406 0.98 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
Hydrochloric Acid SCHEMBL4140547 0.98 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
Hydrochloric Acid SCHEMBL4135410 0.98 HTR2C (1.00) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL5680153 0.83 HTR2C (0.70) HTR2CHTR2BHTR2AMAOBSLC6A3
SCHEMBL15590759 0.80 MAOB (0.67) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL23191934 0.79 HTR2C (0.66) HTR2CHTR2BHTR2AMAOBSLC6A3
SCHEMBL20570045 0.78 HTR2C (0.66) HTR2CHTR2BHTR2AMAOBSLC6A4

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-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 — — US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 — — WO 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 (1 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-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 4/4885HTR2A 2/4885

“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.

Send feedback