SCHEMBL4429698

SCHEMBL4429698

O=C(CCn1ccnc1-c1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
HTR7 P34969 4/20 0.53
FAAH O00519 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
PRKAA2 P54646 1/20 0.46

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
SCHEMBL4426793 0.93 HTR7 (0.60) ESR1HTR7
SCHEMBL4426690 0.91 HTR7 (0.56) ESR1HTR7FAAH
SCHEMBL4417940 0.87 CACNA1G (0.56) ESR1HTR7FAAH
SCHEMBL4419759 0.86 ACHE (0.50) ESR1HTR7FAAH
SCHEMBL4415443 0.85 F10 (0.49) HTR7PRKAA2
SCHEMBL4425280 0.83 ESR1 (0.61) ESR1HTR7
SCHEMBL4426878 0.83 ESR1 (0.61) ESR1HTR7
SCHEMBL4413975 0.81 ESR1 (0.65) ESR1HTR7
SCHEMBL4413950 0.81 HTR7 (0.61) HTR7
SCHEMBL4430531 0.79 ESR1 (0.62) ESR1HTR7

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 ESR1 4432/4885HTR7 816/4885FAAH 1217/4885

“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.