SCHEMBL3595227

SCHEMBL3595227

O=C(O)N1CCCC(CN2CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.55
KCNH2 Q12809 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
DPP7 Q9UHL4 1/20 0.50
HTR1A P08908 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49
GRM5 P41594 1/20 0.48
GRM7 Q14831 1/20 0.48
GRM3 Q14832 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL3595224 1.00 CCR2 (0.55) CCR2KCNH2KMT2AMEN1TSHR
SCHEMBL2959964 0.84 HTR6 (0.54) CCR2KCNH2KMT2AMEN1TSHR
SCHEMBL2959968 0.84 HTR6 (0.54) CCR2KCNH2KMT2AMEN1TSHR
SCHEMBL641990 0.82 PRMT5 (0.56) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL2947772 0.81 MC4R (0.58) CCR2KCNH2ALDH1A1SIGMAR1HTR1A
SCHEMBL2947770 0.81 MC4R (0.58) CCR2KCNH2ALDH1A1SIGMAR1HTR1A
SCHEMBL31324479 0.80 TACR3 (0.62) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL1943895 0.80 CCR2 (0.76) CCR2KCNH2KDM4E
SCHEMBL3585511 0.78 DRD4 (0.58) CCR2KCNH2ALDH1A1SIGMAR1HTR1A
SCHEMBL3585513 0.78 DRD4 (0.58) CCR2KCNH2ALDH1A1SIGMAR1HTR1A

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 2 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

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 CCR2 1499/4885KCNH2 870/4885KMT2A 721/4885

“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.