SCHEMBL3557375

SCHEMBL3557375

C[C@@H](c1ccc(N2CCN(C)CC2)c(Cl)c1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.49
PTGS1 P23219 1/20 0.49
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
RAD52 P43351 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPY2R P49146 3/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
WDR5 P61964 3/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2427683 0.81 RORC (0.46) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3555287 0.77 CHKA (0.46) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL14924031 0.74 KDM4E (0.58) CHRM1PTGS1KDM4EMAPTRAD52
SCHEMBL2197716 0.72 GAA (0.57) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL20682509 0.71 KDM4E (0.51) KDM4EMAPTRAD52NPC1RAB9A
SCHEMBL13504603 0.71 KDM4E (0.39) KDM4ECYP2D6
SCHEMBL2198579 0.71 KDM4E (0.39) KDM4ECYP2D6
SCHEMBL3555656 0.69 ADRA2A (0.40) CHRM1
SCHEMBL2429212 0.67 ESR1 (0.42) CHRM1PTGS1MAPTALDH1A1LMNA
SCHEMBL1448846 0.67 ESR1 (0.42) CHRM1PTGS1MAPTALDH1A1LMNA

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A CHRM1 855/4885PTGS1 4374/4885KDM4E 489/4885

“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.