SCHEMBL4023017

SCHEMBL4023017

NC1CCc2ccc(Cl)c(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
HTR2C P28335 4/20 0.45
HTR2B P41595 3/20 0.45
PNMT P11086 9/20 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
SCHEMBL4015985 0.81 ACHE (0.36) HTR2AHTR2CHTR2B
SCHEMBL874814 0.80 ANPEP (0.43)
Hydrochloric Acid SCHEMBL584893 0.78 ANPEP (0.45)
SCHEMBL16395308 0.76 HTR2C (0.45) HTR2C
SCHEMBL16395441 0.76 HTR2C (0.45) HTR2C
SCHEMBL1151104 0.76 HTR2C (0.45) HTR2C
SCHEMBL23841366 0.72 HTR2A (0.45) HTR2AHTR2CHTR2BPNMT
SCHEMBL19827770 0.72 HTR2C (0.35) HTR2AHTR2CHTR2BPNMT
SCHEMBL19829933 0.72 HTR2C (0.35) HTR2AHTR2CHTR2BPNMT
SCHEMBL19829939 0.72 HTR2C (0.35) HTR2AHTR2CHTR2BPNMT

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-4096173-A Chlorinated 1-aminoindane N-methyl transferase inhibitors ELI LILLY AND COMPANY (US) 1978-06-20 US claimed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-4096173-A Chlorinated 1-aminoindane N-methyl transferase inhibitors ELI LILLY AND COMPANY (US) 1978-06-20 US disclosed
US-4096173-A Chlorinated 1-aminoindane N-methyl transferase inhibitors ELI LILLY AND COMPANY (US) 1978-06-20 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 (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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C HTR2A 465/4885HTR2C 263/4885HTR2B 459/4885

“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.