SCHEMBL4416119

SCHEMBL4416119

Cc1ccc(N2CCN(C(=O)CCn3ccnc3C)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
F10 P00742 1/20 0.45

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
SCHEMBL4419470 0.86 ESR1 (0.53) SMN1; SMN2USP2ALDH1A1HTTPOLB
SCHEMBL4417108 0.82 ALDH1A1 (0.59) SMN1; SMN2USP2ALDH1A1HTTMAPT
SCHEMBL4422023 0.80 MAPT (0.60) SMN1; SMN2ALDH1A1HTTPOLBMAPT
SCHEMBL4422476 0.79 HTR7 (0.60) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL4417442 0.78 USP2 (0.53) SMN1; SMN2USP2ALDH1A1HTTPOLB
SCHEMBL9987794 0.77 HTT (0.58) SMN1; SMN2USP2ALDH1A1HTTPOLB
SCHEMBL4429576 0.77 HTR1A (0.64) SMN1; SMN2ALDH1A1POLBMAPTKDM4E
SCHEMBL4422252 0.76 MAPT (0.57) SMN1; SMN2ALDH1A1MAPTKMT2ATSHR
SCHEMBL3301951 0.74 HTT (0.60) SMN1; SMN2USP2ALDH1A1HTTPOLB
SCHEMBL4419782 0.74 HTT (0.52) SMN1; SMN2USP2ALDH1A1HTTPOLB

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 SMN1; SMN2 1442/4885USP2 3594/4885ALDH1A1 3972/4885

“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.