SCHEMBL4428558

SCHEMBL4428558

O=C(CCn1cnc(-c2ccccc2)c1)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 2/20 0.50
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4413980 0.85 HTR1A (0.59) MAPTKMT2AMEN1LMNATSHR
SCHEMBL4429267 0.85 KMT2A (0.60) MAPTKMT2AMEN1LMNATSHR
SCHEMBL4419131 0.85 MAPT (0.58) MAPTKMT2AMEN1LMNATSHR
SCHEMBL4417739 0.84 POLB (0.54) MAPTKMT2AMEN1LMNATSHR
SCHEMBL4430505 0.84 TSHR (0.52) KMT2ATSHRNPC1RAB9AALDH1A1
SCHEMBL4419782 0.82 HTT (0.52) MAPTKMT2AMEN1LMNATSHR
SCHEMBL4415388 0.80 ALDH1A1 (0.52) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL4419917 0.80 TSHR (0.54) LMNATSHRALDH1A1HTT
SCHEMBL4417150 0.80 HTR1A (0.64) MAPTKMT2AMEN1LMNATSHR
SCHEMBL4419768 0.79 HTR7 (0.50) KMT2AMEN1

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 4575/4885MEN1 2657/4885

“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.