SCHEMBL4137819

SCHEMBL4137819

c1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 1.00
KDM1A O60341 2/20 0.54
MAOA P21397 1/20 0.54
HTR2B P41595 6/20 0.52
HTR2A P28223 5/20 0.52
MAOB P27338 2/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4137817 1.00 HTR2C (1.00) HTR2CKDM1AMAOAHTR2BHTR2A
SCHEMBL27506165 0.89 HTR2C (0.79) HTR2CKDM1AMAOAHTR2BHTR2A
Hydrochloric Acid SCHEMBL6416841 0.88 HTR2C (0.77) HTR2CKDM1AMAOAHTR2BHTR2A
SCHEMBL16507112 0.81 HTR2C (0.66) HTR2CKDM1AMAOAMAOBMEN1
SCHEMBL16507114 0.81 HTR2C (0.66) HTR2CKDM1AMAOAMAOBMEN1
SCHEMBL14498489 0.80 HTR2C (0.67) HTR2CKDM1AMAOAHTR2AMAOB
SCHEMBL12512197 0.80 HTR2C (0.68) HTR2CKDM1AHTR2BHTR2AMAOB
SCHEMBL14568843 0.79 HTR2C (1.00) HTR2CKDM1AMAOAHTR2BHTR2A
SCHEMBL6337289 0.79 HTR2C (1.00) HTR2CKDM1AMAOAHTR2BHTR2A
SCHEMBL4139467 0.79 HTR2C (1.00) HTR2CKDM1AMAOAHTR2BHTR2A

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-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 US disclosed
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

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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 HTR2C 4102/4885KDM1A 1628/4885MAOA 1147/4885
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A HTR2C 1/4885KDM1A 3105/4885MAOA 666/4885

“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.