SCHEMBL6468720

SCHEMBL6468720

CCC1NCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.45
SLC22A1 O15245 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PNMT P11086 2/20 0.39
OPRM1 P35372 1/20 0.38

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
SCHEMBL6467470 0.85 PRCP (0.42) PRCPSLC22A1ALDH1A1MAPTPNMT
SCHEMBL11805092 0.84 PRCP (0.46) PRCPSLC22A1PNMTOPRM1
SCHEMBL27620851 0.82 PRCP (0.41) PRCPSLC22A1ALDH1A1MAPTPNMT
SCHEMBL3111967 0.82 PRCP (0.43) PRCPSLC22A1ALDH1A1MAPTPNMT
SCHEMBL16455043 0.81 PRCP (0.68) PRCPSLC22A1ALDH1A1OPRM1
SCHEMBL1011090 0.81 PRCP (0.68) PRCPSLC22A1ALDH1A1OPRM1
SCHEMBL10226238 0.81 PRCP (0.68) PRCPSLC22A1ALDH1A1OPRM1
SCHEMBL29768301 0.81 PRCP (0.68) PRCPSLC22A1ALDH1A1OPRM1
SCHEMBL6923373 0.80 PRCP (0.40) PRCPSLC22A1ALDH1A1
SCHEMBL24639478 0.80 PRCP (0.42) PRCPSLC22A1ALDH1A1MAPTPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
EP-4408530-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2024-08-07 EP disclosed
CN-117362661-A Hyperbranched carbon-nitrogen heterocyclic resin and resin composition, prepreg, circuit substrate and printed circuit board thereof 浙江华正新材料股份有限公司 2024-01-09 CN disclosed
WO-2023049888-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 WO disclosed
WO-2021186324-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2021-09-23 WO disclosed
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 US disclosed
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2019-02-21 US disclosed
CN-103958478-B Bicyclic dihydroisoquinolin-1-one derivatives 霍夫曼-拉罗奇有限公司 2017-08-01 CN disclosed
US-7314879-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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 (3 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-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SCNN1G PRCP 664/4885SLC22A1 131/4885ALDH1A1 2979/4885
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G PRCP 664/4885SLC22A1 131/4885ALDH1A1 2979/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 PRCP 2366/4885SLC22A1 1701/4885ALDH1A1 846/4885

“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.