SCHEMBL4419917

SCHEMBL4419917

O=C(CCn1cnc(-c2ccccc2)c1)N1CCN(CCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HTR7 P34969 8/20 0.48
HTR1A P08908 6/20 0.48
KDM4E B2RXH2 3/20 0.47
NCOA3 Q9Y6Q9 1/20 0.44
HTT P42858 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4415388 0.88 ALDH1A1 (0.52) TSHRHTR7HTR1AKDM4ENCOA3
SCHEMBL4430505 0.88 TSHR (0.52) TSHRHTR7HTR1AKDM4EHTT
SCHEMBL4425296 0.87 HTR7 (0.57) HTR7HTR1AHTTALDH1A1LMNA
SCHEMBL4413980 0.85 HTR1A (0.59) TSHRHTR7HTR1AHTTALDH1A1
SCHEMBL4422101 0.84 HTR7 (0.56) HTR7HTR1ALMNA
SCHEMBL4419768 0.83 HTR7 (0.50) HTR7HTR1A
SCHEMBL4417077 0.82 CACNA2D1 (0.52) TSHRHTTALDH1A1LMNA
SCHEMBL4423239 0.81 CACNA1G (0.57) HTR7HTR1AHTTSIGMAR1
SCHEMBL4428558 0.80 MAPT (0.58) TSHRHTTALDH1A1LMNA
SCHEMBL4417150 0.79 HTR1A (0.64) TSHRHTR7HTR1AKDM4EALDH1A1

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 TSHR 3065/4885HTR7 816/4885HTR1A 1240/4885

“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.