SCHEMBL4422240

SCHEMBL4422240

Cc1cn(CCC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MAPT P10636 4/20 0.57
USP2 O75604 2/20 0.57
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 2/20 0.53
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
DRD4 P21917 2/20 0.52
UBE2N P61088 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
DRD2 P14416 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL4420419 0.89 HSD17B10 (0.50) LMNAMAPTMAPK1ALDH1A1KMT2A
SCHEMBL4417691 0.87 MAPT (0.63) LMNAMAPTUSP2MAPK1ALDH1A1
SCHEMBL4422360 0.84 HTR1A (0.64) MAPTALDH1A1KMT2AHTR1AHTR7
SCHEMBL4417227 0.83 LMNA (0.52) LMNAUSP2KMT2AHTR1ADRD4
SCHEMBL4419744 0.82 ACHE (0.52) LMNAUSP2MAPK1KMT2AHTR1A
SCHEMBL4416126 0.81 HTR1A (0.56) LMNAUSP2MAPK1ALDH1A1KMT2A
SCHEMBL4426703 0.81 LMNA (0.57) LMNAMAPTUSP2MAPK1ALDH1A1
SCHEMBL4420491 0.80 POLB (0.56) MAPTMAPK1ALDH1A1KMT2AHTR1A
SCHEMBL4423233 0.79 CCR3 (0.51) MAPTALDH1A1SMN1; SMN2
SCHEMBL4428508 0.78 MAPT (0.52) MAPTALDH1A1KMT2AHTR1AHTR7

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 936/4885MAPT 2493/4885USP2 3594/4885

“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.