SCHEMBL2947772

SCHEMBL2947772

CN1CCCC(CN2CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.58
SIGMAR1 Q99720 4/20 0.55
HTR1A P08908 1/20 0.55
ACHE P22303 1/20 0.51
CHKA P35790 1/20 0.51
KCNH2 Q12809 2/20 0.50
ABCB11 O95342 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD1 P21728 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL2947770 1.00 MC4R (0.58) MC4RSIGMAR1HTR1AACHECHKA
SCHEMBL10202235 0.91 MC4R (0.62) MC4RSIGMAR1HTR1AACHEDRD3
SCHEMBL3585513 0.83 DRD4 (0.58) SIGMAR1HTR1AKCNH2HTR2AHTR2C
SCHEMBL3585511 0.83 DRD4 (0.58) SIGMAR1HTR1AKCNH2HTR2AHTR2C
SCHEMBL8176746 0.83 SIGMAR1 (0.62) SIGMAR1HTR1AACHEOPRM1CCR3
SCHEMBL2796077 0.82 MC4R (0.72) MC4RSIGMAR1HTR1AACHECHKA
SCHEMBL8437410 0.81 MC4R (0.57) MC4RSIGMAR1ACHECHKADRD3
SCHEMBL3595227 0.81 CCR2 (0.55) SIGMAR1HTR1AKCNH2ALDH1A1LMNA
SCHEMBL3595224 0.81 CCR2 (0.55) SIGMAR1HTR1AKCNH2ALDH1A1LMNA
SCHEMBL3860667 0.80 KCNA3 (0.55) SIGMAR1KCNH2ABCB11CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US 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

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-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof UGT2B7, PKD2, CYP2C19 MC4R 644/4885SIGMAR1 2247/4885HTR1A 2695/4885

“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.