SCHEMBL21582355

SCHEMBL21582355

N#CC1(c2ccccc2Br)CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.68
OPRL1 P41146 3/20 0.53
SIGMAR1 Q99720 10/20 0.52
CYP3A4 P08684 3/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2B P41595 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL29573303 1.00 OPRM1 (0.68) OPRM1OPRL1SIGMAR1CYP3A4TP53
SCHEMBL21582385 0.92 OPRM1 (0.60) OPRM1OPRL1SIGMAR1CYP3A4TP53
SCHEMBL29573078 0.92 OPRM1 (0.60) OPRM1OPRL1SIGMAR1CYP3A4TP53
SCHEMBL23660796 0.84 OPRM1 (0.69) OPRM1OPRL1SIGMAR1CYP3A4TP53
SCHEMBL6248119 0.83 OPRM1 (0.68) OPRM1OPRL1SIGMAR1CYP3A4TP53
SCHEMBL7848766 0.81 OPRM1 (0.64) OPRM1OPRL1SIGMAR1CYP3A4TP53
SCHEMBL476404 0.81 OPRM1 (1.00) OPRM1OPRL1SIGMAR1CYP3A4HSD17B10
SCHEMBL1267136 0.80 OPRM1 (0.63) OPRM1OPRL1SIGMAR1CYP3A4TP53
Hydrochloric Acid SCHEMBL2473959 0.80 OPRM1 (0.97) OPRM1OPRL1SIGMAR1CYP3A4HSD17B10
SCHEMBL6469070 0.79 OPRM1 (0.61) OPRM1OPRL1SIGMAR1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479820-B2 Pyridin-3-yl derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-11-25 US disclosed
US-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis IDORSIA PHARMACEUTICALS LTD (CH) 2025-07-01 US disclosed
CN-114026082-B Pyridin-3-yl derivatives 爱杜西亚药品有限公司 2024-06-07 CN disclosed
CN-112236424-B Alkoxy-substituted pyridinyl derivatives 爱杜西亚药品有限公司 2024-03-15 CN disclosed
EP-3802517-B1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2022-12-21 EP disclosed
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-11 US disclosed
EP-3986884-A1 PYRIDIN-3-YL DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-04-27 EP disclosed
CN-114026082-A Pyridin-3-yl derivatives 爱杜西亚药品有限公司 2022-02-08 CN disclosed
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-12 US disclosed
EP-3802517-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS Idorsia Pharmaceuticals Ltd (CH) 2021-04-14 EP disclosed
CN-112236424-A Alkoxy-substituted pyridyl derivatives 爱杜西亚药品有限公司 2021-01-15 CN disclosed
WO-2020254408-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-24 WO disclosed
WO-2019234115-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2019-12-12 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 (4 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-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis LPAR1, LPAR3, LPAR2 OPRM1 487/4885OPRL1 257/4885SIGMAR1 698/4885
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES LPAR1, LPAR3, LPAR2 OPRM1 389/4885OPRL1 246/4885SIGMAR1 630/4885
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS LPAR1, LPAR3, LPAR2 OPRM1 487/4885OPRL1 257/4885SIGMAR1 698/4885
US-12479820-B2 Pyridin-3-yl derivatives LPAR1, LPAR3, LPAR2 OPRM1 389/4885OPRL1 246/4885SIGMAR1 630/4885

“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.