SCHEMBL4417234

SCHEMBL4417234

O=C(CCn1cnc(-c2ccccc2)c1)NCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR7 P34969 4/20 0.38
▸ HTR1A P08908 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL4416267 0.90 LMNA (0.38) LMNAL3MBTL1HTR7HTR1AMAPT
SCHEMBL4419791 0.84 HTR2A (0.39) LMNAHTR7HTR1AMAPTMEN1
SCHEMBL4430303 0.83 HTR7 (0.42) HTR7HTR1AMAPTMEN1KMT2A
SCHEMBL4423590 0.82 ESR1 (0.42) LMNAL3MBTL1HTR7HTR1AMAPT
SCHEMBL4428545 0.80 ALDH1A1 (0.40) LMNAL3MBTL1HTR7HTR1AMAPT
SCHEMBL4428508 0.76 MAPT (0.52) HTR7HTR1AMAPTKMT2ATSHR
SCHEMBL4417230 0.76 HTR1A (0.38) LMNAL3MBTL1HTR7HTR1AMAPT
SCHEMBL4417691 0.75 MAPT (0.63) LMNAHTR7HTR1AMAPTMEN1
SCHEMBL2116079 0.75 MEN1 (0.49) LMNAL3MBTL1HTR7HTR1AMAPT
SCHEMBL4419772 0.75 TSHR (0.57) LMNAL3MBTL1HTR7HTR1AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 — — US claimed
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 LMNA 936/4885L3MBTL1 4478/4885HTR7 816/4885

“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.

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