SCHEMBL4429281

SCHEMBL4429281

Cc1cn(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 7/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 7/20 0.57
KMT2A Q03164 5/20 0.57
TSHR P16473 2/20 0.57
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 2/20 0.55
USP2 O75604 2/20 0.55
ADAMTS5 Q9UNA0 3/20 0.53
LMNA P02545 5/20 0.52
MEN1 O00255 4/20 0.52
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4419131 0.86 MAPT (0.58) ALDH1A1MAPTHSD17B10KDM4EALOX15
SCHEMBL4429267 0.84 KMT2A (0.60) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL4417442 0.82 USP2 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL4419760 0.81 HTR7 (0.60) ALDH1A1MAPTHSD17B10SMN1; SMN2KMT2A
SCHEMBL4422360 0.79 HTR1A (0.64) ALDH1A1MAPTHSD17B10KDM4ESMN1; SMN2
SCHEMBL4417108 0.78 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10KDM4EALOX15
SCHEMBL8912424 0.77 MAPT (0.72) ALDH1A1MAPTHSD17B10KDM4EALOX15
SCHEMBL9987606 0.77 MAPT (0.67) ALDH1A1MAPTHSD17B10KDM4EALOX15
SCHEMBL4425460 0.76 GFER (0.55) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL22053945 0.75 MAPT (0.72) ALDH1A1MAPTHSD17B10KDM4EALOX15

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 ALDH1A1 3972/4885MAPT 2493/4885HSD17B10 4273/4885

“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.