SCHEMBL4419782

SCHEMBL4419782

Cc1ccc(N2CCN(C(=O)CCn3cnc(-c4ccccc4)c3)CC2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
POLB P06746 1/20 0.52
USP2 O75604 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
AR P10275 1/20 0.44
GRM5 P41594 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4417442 0.86 USP2 (0.53) HTTPOLBUSP2ADAMTS5SMN1; SMN2
SCHEMBL4419131 0.86 MAPT (0.58) HTTPOLBUSP2ADAMTS5SMN1; SMN2
SCHEMBL4423539 0.85 HTR7 (0.51) HTTPOLBKMT2A
SCHEMBL4430505 0.84 TSHR (0.52) HTTPOLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL4413980 0.83 HTR1A (0.59) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4428558 0.82 MAPT (0.58) HTTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL4419470 0.80 ESR1 (0.53) HTTPOLBUSP2ADAMTS5SMN1; SMN2
SCHEMBL4415388 0.80 ALDH1A1 (0.52) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4419392 0.78 MAPK1 (0.57) HTTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL4419917 0.78 TSHR (0.54) HTTLMNAALDH1A1TSHR

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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 HTT 2680/4885POLB 4815/4885USP2 3594/4885

“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.