SCHEMBL4416262

SCHEMBL4416262

Cc1cn(CCC(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2(C)c2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ DRD2 P14416 3/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTR7 P34969 2/20 0.36
▸ QPCTL Q9NXS2 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL4417230 0.90 HTR1A (0.38) HTR1AMMP2MMP13ADAMTS5DRD2
SCHEMBL4425309 0.84 HTR1A (0.42) HTR1AMMP2MMP13ADAMTS5LMNA
SCHEMBL4428542 0.84 ALDH1A1 (0.38) HTR1AMMP2MMP13ADAMTS5DRD2
SCHEMBL4423588 0.82 ESR1 (0.42) HTR1AMMP2MMP13ADAMTS5DRD2
SCHEMBL4420419 0.77 HSD17B10 (0.50) HTR1ADRD2LMNAHTR7TSHR
SCHEMBL4416267 0.76 LMNA (0.38) HTR1ADRD2DRD4LMNAL3MBTL1
SCHEMBL4419789 0.76 MAPT (0.39) ADAMTS5LMNAHTR7TSHRUSP2
SCHEMBL27520895 0.76 HTR1A (0.46) HTR1AMMP2MMP13ADAMTS5DRD2
SCHEMBL4430300 0.74 HTR1A (0.41) HTR1AMMP2MMP13ADAMTS5LMNA
SCHEMBL4422240 0.73 LMNA (0.57) HTR1ADRD2DRD4LMNAHTR7

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 HTR1A 1240/4885MMP2 4287/4885MMP13 4648/4885

“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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