SCHEMBL4428545

SCHEMBL4428545

Cc1nccn1CCC(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ HTR7 P34969 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ BCHE P06276 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
SCHEMBL4423590 0.91 ESR1 (0.42) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL4416267 0.84 LMNA (0.38) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL4417268 0.83 HTR7 (0.43) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL4417234 0.80 LMNA (0.39) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL4428542 0.76 ALDH1A1 (0.38) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL4420407 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTHTR7
SCHEMBL2116079 0.76 MEN1 (0.49) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL4417933 0.74 ESR1 (0.47) ALDH1A1KMT2AMEN1MAPTHTR7
SCHEMBL4422458 0.73 KMT2A (0.54) ALDH1A1LMNAKMT2AHTR7RXFP1
SCHEMBL4426703 0.72 LMNA (0.57) ALDH1A1LMNAKMT2AMAPTHTR7

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 ALDH1A1 3972/4885LMNA 936/4885L3MBTL1 4478/4885

“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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