SCHEMBL759018

SCHEMBL759018

[c]1ccccc1CN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
LMNA P02545 1/20 0.47
CXCR4 P61073 7/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
MEN1 O00255 1/20 0.42
ADRA2C P18825 1/20 0.42
CCR2 P41597 1/20 0.42
CXCL12 P48061 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM1A O60341 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 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
SCHEMBL10926657 0.84 SIGMAR1 (0.56) SIGMAR1LMNACHRM2CHRM1KDM1A
SCHEMBL844945 0.83 HRH3 (0.43) SIGMAR1LMNAHRH3ALDH1A1
SCHEMBL5380547 0.83 ALDH1A1 (0.39) SIGMAR1CCR2HRH3ALDH1A1
SCHEMBL844842 0.81 HRH3 (0.47) SIGMAR1LMNATDP1HRH3ALDH1A1
SCHEMBL1449845 0.79 MC4R (0.55) SIGMAR1LMNAKDM1AALDH1A1
SCHEMBL159991 0.79 ALDH1A1 (0.53) SIGMAR1CXCR4MEN1KMT2AHRH3
SCHEMBL7393059 0.78 SIGMAR1 (0.50) SIGMAR1LMNAHRH3SLC6A4ALDH1A1
SCHEMBL27645919 0.77 ALDH1A1 (0.39) SIGMAR1LMNATDP1HRH3ALDH1A1
SCHEMBL4718636 0.77 HRH3 (0.38) SIGMAR1HRH3
SCHEMBL27708992 0.77 ALDH1A1 (0.51) SIGMAR1CXCR4MEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN claimed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US claimed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US claimed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN claimed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP claimed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US claimed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO claimed
CN-107690434-B Fused tricyclic imidazopyrazine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-07-30 CN disclosed
CN-105829307-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2020-07-24 CN disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080123-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-17 EP disclosed
EP-3080129-B1 IMIDAZOTRIAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-03 EP disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
CN-1259942-A Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-07-12 CN disclosed
EP-0993448-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-19 EP disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO disclosed
WO-1998057934-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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 (2 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 SIGMAR1 1315/4885LMNA 3544/4885CXCR4 2325/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 SIGMAR1 1315/4885LMNA 3544/4885CXCR4 2325/4885

“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.