SCHEMBL3588458

SCHEMBL3588458

c1ccc(N2CCC[C@@H](CN3CCNCC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
MEN1 O00255 3/20 0.46
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3588462 1.00 SIGMAR1 (0.49) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL3585513 0.82 DRD4 (0.58) SIGMAR1HTR1AHTR2AKCNH2ALDH1A1
SCHEMBL3585511 0.82 DRD4 (0.58) SIGMAR1HTR1AHTR2AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL30980487 0.81 SIGMAR1 (0.58) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL3585408 0.80 CCR2 (0.52) MEN1HTR1AKCNH2ALDH1A1DRD2
SCHEMBL3585412 0.80 CCR2 (0.52) MEN1HTR1AKCNH2ALDH1A1DRD2
SCHEMBL6648521 0.79 CYP2D6 (0.52) ALDH1A1CYP2D6CNR1
SCHEMBL21135739 0.79 CYP2D6 (0.52) ALDH1A1CYP2D6CNR1
SCHEMBL21135447 0.79 CYP2D6 (0.52) ALDH1A1CYP2D6CNR1
SCHEMBL1778644 0.77 CCR2 (0.53) SIGMAR1HTR2AKCNH2DRD2DRD3

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 4 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-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 SIGMAR1 1047/4885HTR3E 786/4885HTR3B 1083/4885

“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.