SCHEMBL3585513

SCHEMBL3585513

c1ccc(CN2CCN(CC3CCCN(c4ccccc4)C3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.58
SIGMAR1 Q99720 5/20 0.52
HTR1A P08908 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CCR3 P51677 1/20 0.48
CCR2 P41597 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 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
SCHEMBL3585511 1.00 DRD4 (0.58) DRD4SIGMAR1HTR1ACYP1A2CYP3A4
SCHEMBL2947770 0.83 MC4R (0.58) SIGMAR1HTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL2947772 0.83 MC4R (0.58) SIGMAR1HTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL3588462 0.82 SIGMAR1 (0.49) SIGMAR1HTR1ACYP3A4CYP2D6CYP2C19
SCHEMBL3588458 0.82 SIGMAR1 (0.49) SIGMAR1HTR1ACYP3A4CYP2D6CYP2C19
SCHEMBL3585408 0.81 CCR2 (0.52) HTR1AALDH1A1CCR2KCNH2
SCHEMBL3585412 0.81 CCR2 (0.52) HTR1AALDH1A1CCR2KCNH2
SCHEMBL8176746 0.81 SIGMAR1 (0.62) SIGMAR1HTR1ACCR3
SCHEMBL3595224 0.78 CCR2 (0.55) SIGMAR1HTR1AALDH1A1CCR2KCNH2
SCHEMBL3595227 0.78 CCR2 (0.55) SIGMAR1HTR1AALDH1A1CCR2KCNH2

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 5 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
CN-101365698-A 2-urea-4-phenylthiazole derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-02-11 CN 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
WO-2007077394-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-07-12 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 (1 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 DRD4 1149/4885SIGMAR1 1047/4885HTR1A 2065/4885

“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.