SCHEMBL2959946

SCHEMBL2959946

c1ccc(CN2CCCC(N3CCNCC3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
CYP2D6 P10635 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
CHRM3 P20309 1/20 0.53
CXCR4 P61073 1/20 0.48
HTR6 P50406 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 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
SCHEMBL5040073 0.91 SIGMAR1 (0.60) SIGMAR1CYP2D6ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8479695 0.90 SIGMAR1 (0.58) SIGMAR1CYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL4423264 0.87 ALDH1A1 (0.60) SIGMAR1CYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL23225374 0.85 ALDH1A1 (0.58) SIGMAR1CYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL21216229 0.85 ALDH1A1 (0.58) SIGMAR1CYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL5226660 0.83 ACHE (0.62) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1206639 0.82 SIGMAR1 (0.69) SIGMAR1ALDH1A1CYP2C19DRD2HPGD
SCHEMBL31014864 0.82 ALDH1A1 (0.55) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5091037 0.81 SIGMAR1 (0.54) SIGMAR1CYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL31014970 0.81 CYP1A2 (0.54) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US disclosed
EP-1984361-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-10-29 EP disclosed
EP-1771425-B1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-14 EP disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US disclosed
WO-2007077394-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-07-12 WO disclosed
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. 2003-09-18 US disclosed
EP-1106615-B1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2003-03-05 EP disclosed
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists OKUMURA YOSHIYUKI (JP) 2002-04-11 US disclosed
EP-1106615-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 SIGMAR1 1047/4885CYP2D6 29/4885ALDH1A1 838/4885
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 SIGMAR1 278/4885CYP2D6 786/4885ALDH1A1 2124/4885
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof UGT2B7, PKD2, CYP2C19 SIGMAR1 2247/4885CYP2D6 34/4885ALDH1A1 1008/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 SIGMAR1 297/4885CYP2D6 818/4885ALDH1A1 1413/4885

“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.