SCHEMBL387459

SCHEMBL387459

C#CCCCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
SIGMAR1 Q99720 4/20 0.46
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
EPHX1 P07099 1/20 0.33
KDM5A P29375 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4A O75164 1/20 0.32
CEL P19835 1/20 0.32

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
SCHEMBL9560139 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL21508603 0.87
SCHEMBL235643 0.85 CYP1A2 (0.42) CYP1A2SIGMAR1EPHX1
SCHEMBL236468 0.82
SCHEMBL16978763 0.77 HRH3 (0.39) CHRNB2CHRNA7CHRNA4
SCHEMBL8390897 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL6590040 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL3915320 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1
SCHEMBL99022 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL10579794 0.76 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1CEL

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-8735388-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2014-05-27 US disclosed
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS ABBVIE B.V.A (NL) 2014-03-20 US disclosed
US-8586606-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2013-11-19 US disclosed
US-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. 2012-04-19 US disclosed
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8084473-B2 Heterocyclic compounds with affinity to muscarinic receptors SOLVAY PHARMACEUTICALS B.V. (NL) 2011-12-27 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed
US-5565451-A 1-substituted-2, 4-diamino-6, 6-dialkyl-1, 6-dihydro-1, 3, 5-triazines as insecticides FMC CORPORATION (US) 1996-10-15 US disclosed
US-5466710-A Heterobicycloalkanes as pesticidal compounds ROUSSEL UCLAF (FR) 1995-11-14 US disclosed
US-5116862-A Acetylenic trithiabicyclo(2.2.2)octanes THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-26 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 (7 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CYP1A2 450/4885SIGMAR1 723/4885CHRNB2 1984/4885
US-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 CYP1A2 356/4885SIGMAR1 269/4885CHRNB2 22/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 CYP1A2 434/4885SIGMAR1 248/4885CHRNB2 36/4885
US-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 CYP1A2 4026/4885SIGMAR1 3530/4885CHRNB2 1956/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CYP1A2 450/4885SIGMAR1 723/4885CHRNB2 1984/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 CYP1A2 4252/4885SIGMAR1 2984/4885CHRNB2 1580/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CYP1A2 710/4885SIGMAR1 1721/4885CHRNB2 4880/4885

“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.