SCHEMBL4428542

SCHEMBL4428542

Cc1nccn1CCC(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ DRD2 P14416 4/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTR7 P34969 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MC4R P32245 1/20 0.35

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
SCHEMBL4423588 0.92 ESR1 (0.42) HTR1ADRD2DRD4LMNAL3MBTL1
SCHEMBL4417265 0.84 MEN1 (0.43) ALDH1A1HTR1ALMNAKMT2AHTR7
SCHEMBL4416262 0.84 HTR1A (0.38) ALDH1A1HTR1ADRD2DRD4LMNA
SCHEMBL4417230 0.81 HTR1A (0.38) HTR1ADRD2DRD4LMNAL3MBTL1
SCHEMBL4420407 0.77 ALDH1A1 (0.50) ALDH1A1HTR1ADRD2KMT2AHTR7
SCHEMBL4428545 0.76 ALDH1A1 (0.40) ALDH1A1HTR1ALMNAL3MBTL1KMT2A
SCHEMBL27520895 0.76 HTR1A (0.46) ALDH1A1HTR1ADRD2DRD4LMNA
SCHEMBL4417932 0.75 ESR1 (0.47) ALDH1A1HTR1ALMNAKMT2AHTR7
SCHEMBL4426703 0.73 LMNA (0.57) ALDH1A1HTR1ADRD2DRD4LMNA
SCHEMBL4422458 0.72 KMT2A (0.54) ALDH1A1HTR1ADRD4LMNAKMT2A

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 3972/4885HTR1A 1240/4885DRD2 2162/4885

“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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