SCHEMBL4426690

SCHEMBL4426690

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.56
ESR1 P03372 1/20 0.55
CACNA1G O43497 2/20 0.53
HTR1A P08908 2/20 0.49
FAAH O00519 1/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
TACR1 P25103 1/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD4 P21917 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
SCHEMBL4426793 0.94 HTR7 (0.60) HTR7ESR1HTR1AKMT2APOLB
SCHEMBL4429698 0.91 ESR1 (0.54) HTR7ESR1FAAH
SCHEMBL4417940 0.90 CACNA1G (0.56) HTR7ESR1CACNA1GHTR1AFAAH
SCHEMBL4419765 0.85 F10 (0.57) HTR7CACNA1GHTR1AKMT2APOLB
SCHEMBL4426878 0.84 ESR1 (0.61) HTR7ESR1HTR1ALMNA
SCHEMBL4425280 0.84 ESR1 (0.61) HTR7ESR1HTR1AKMT2ALMNA
SCHEMBL4413975 0.82 ESR1 (0.65) HTR7ESR1HTR1AKMT2APOLB
SCHEMBL4413950 0.81 HTR7 (0.61) HTR7HTR1AKMT2APOLBLMNA
SCHEMBL4423543 0.80 HTR1A (0.63) HTR7ESR1HTR1AKMT2ALMNA
SCHEMBL4430531 0.80 ESR1 (0.62) HTR7ESR1HTR1AKMT2ALMNA

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 HTR7 816/4885ESR1 4432/4885CACNA1G 6/4885

“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.