SCHEMBL3585408

SCHEMBL3585408

O=C(O)N1CCN(C[C@@H]2CCCN(c3ccccc3)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.52
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNH2 Q12809 4/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NOTUM Q6P988 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
GRM5 P41594 1/20 0.43
GRM7 Q14831 1/20 0.43
GRM3 Q14832 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CACNA2D1 P54289 2/20 0.42
CACNA1B Q00975 2/20 0.42
CACNB1 Q02641 2/20 0.42

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
SCHEMBL3585412 1.00 CCR2 (0.52) CCR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3585511 0.81 DRD4 (0.58) CCR2ALDH1A1KCNH2HTR1A
SCHEMBL3585513 0.81 DRD4 (0.58) CCR2ALDH1A1KCNH2HTR1A
SCHEMBL3588462 0.80 SIGMAR1 (0.49) ALDH1A1MEN1KCNH2HTR1ADRD2
SCHEMBL3588458 0.80 SIGMAR1 (0.49) ALDH1A1MEN1KCNH2HTR1ADRD2
SCHEMBL3595224 0.76 CCR2 (0.55) CCR2ALDH1A1MEN1KMT2AKCNH2
SCHEMBL3595227 0.76 CCR2 (0.55) CCR2ALDH1A1MEN1KMT2AKCNH2
SCHEMBL27692840 0.76 CCR2 (0.53) CCR2ALDH1A1KCNH2KDM4EGRM5
SCHEMBL6648521 0.75 CYP2D6 (0.52) ALDH1A1MAPTKMT2APOLBGAA
SCHEMBL21135447 0.75 CYP2D6 (0.52) ALDH1A1MAPTKMT2APOLBGAA

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
CN-101365698-A 2-urea-4-phenylthiazole derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-02-11 CN claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
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

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 1499/4885ALDH1A1 838/4885MAPT 787/4885

“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.