SCHEMBL4419296

SCHEMBL4419296

Cc1cccc(N2CCN(C(=O)CCn3ccnc3-c3ccccc3)CC2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TSHR P16473 3/20 0.59
MAPK1 P28482 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
USP2 O75604 2/20 0.52
MEN1 O00255 4/20 0.51
HTT P42858 2/20 0.51
ADAMTS5 Q9UNA0 2/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.49

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
SCHEMBL4417108 0.87 ALDH1A1 (0.59) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4428470 0.85 MAPT (0.58) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4419470 0.85 ESR1 (0.53) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4416936 0.85 MAPT (0.59) MAPTKMT2ANPSR1MEN1HTT
SCHEMBL4430531 0.84 ESR1 (0.62) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4413975 0.84 ESR1 (0.65) KMT2ATSHRMAPK1RAB9AHSD17B10
SCHEMBL4425280 0.81 ESR1 (0.61) KMT2AALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL4423543 0.80 HTR1A (0.63) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4415936 0.79 MAPK1 (0.57) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4419131 0.79 MAPT (0.58) MAPTKMT2AALDH1A1SMN1; SMN2TSHR

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 MAPT 2493/4885KMT2A 4575/4885ALDH1A1 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.