SCHEMBL4419294

SCHEMBL4419294

O=C(CCn1ccnc1-c1ccccc1)NCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
KMT2A Q03164 2/20 0.56
UBE2N P61088 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.55
USP2 O75604 2/20 0.55
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.53
PKM P14618 1/20 0.52
HTR1A P08908 3/20 0.52
HTR7 P34969 2/20 0.52
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
SLC6A4 P31645 2/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.49

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
SCHEMBL4422983 0.92 ESR1 (0.55) KMT2ASMN1; SMN2ALDH1A1HTR1AHTR7
SCHEMBL4415355 0.88 ACHE (0.50) MAPTLMNAUSP2MAPK1ALDH1A1
SCHEMBL4426703 0.88 LMNA (0.57) MAPTKMT2AUBE2NSMN1; SMN2LMNA
SCHEMBL4415467 0.85 HTR1A (0.51) KMT2ALMNAUSP2ALDH1A1HTR1A
SCHEMBL4423543 0.85 HTR1A (0.63) MAPTKMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL4423130 0.84 ACHE (0.57) KMT2ALMNAUSP2MAPK1ALDH1A1
SCHEMBL4422261 0.83 KMT2A (0.52) MAPTKMT2ASMN1; SMN2LMNAUSP2
SCHEMBL4416936 0.82 MAPT (0.59) MAPTKMT2ALMNAHTR7HTR2A
SCHEMBL4416029 0.81 POLB (0.54) MAPTKMT2ASMN1; SMN2LMNAUSP2
SCHEMBL4420507 0.81 HTR7 (0.51) MAPTKMT2AALDH1A1POLBHTR7

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 MAPT 2493/4885KMT2A 4575/4885UBE2N 3895/4885

“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.