SCHEMBL11348398

SCHEMBL11348398

NC1Cc2ccc(Cl)c(Cl)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PNMT P11086 7/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.36
FYN P06241 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35

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
Hydrochloric Acid SCHEMBL25287000 0.98 PNMT (0.42) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3050301 0.82 DRD2 (0.50) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL11362964 0.80 HTR2C (0.44) HTR2AHTR2CHTR2BADRA1AFYN
SCHEMBL11358755 0.80 ADRA1A (0.34) ADRA1AFYNDRD2DRD3CA12
SCHEMBL24095373 0.80 ADRA1A (0.38) HTR2AHTR2CHTR2BADRA1AFYN
SCHEMBL11359509 0.80 ADRA1A (0.34) ADRA1AFYNDRD2DRD3CA12
SCHEMBL11349526 0.80 DRD2 (0.40) HTR2AHTR2CHTR2BADRA1AFYN
SCHEMBL11352780 0.80 HTR2A (0.44) HTR2AHTR2CHTR2BADRA1AFYN
Hydrochloric Acid SCHEMBL25243090 0.79 ADRA1A (0.37) HTR2AHTR2CHTR2BADRA1AFYN
Hydrochloric Acid SCHEMBL30748037 0.79 DRD2 (0.39) HTR2AHTR2CHTR2BADRA1AFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001002-B1 INDANAMINES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-08-12 EP claimed
EP-0001002-A1 Indanamines, processes for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-03-07 EP claimed
US-20230174516-A1 AMINO-PYRIMIDINE AMIDES HOFFMANN-LA ROCHE INC. (US) 2023-06-08 US disclosed
US-20230174516-A1 AMINO-PYRIMIDINE AMIDES HOFFMANN-LA ROCHE INC. (US) 2023-06-08 US disclosed
WO-2021249908-A2 AMINO-PYRIMIDINE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO disclosed
EP-0001002-B1 INDANAMINES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-08-12 EP disclosed
EP-0001002-A1 Indanamines, processes for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-03-07 EP disclosed
US-4128666-A PHENYLETHANOLAMINE N-METHYL-TRANSFERASE INHIBITORS SMITHKLINE CORPORATION (US) 1978-12-05 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-20230174516-A1 AMINO-PYRIMIDINE AMIDES TYMS, TYMP, DPYD HTR2A 1739/4885HTR2C 1803/4885HTR2B 1270/4885

“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.