SCHEMBL4416029

SCHEMBL4416029

O=C(CCn1ccnc1-c1ccccc1)NCCN1CCN(c2ccccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
ADRA1A P35348 2/20 0.50
MEN1 O00255 2/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1B P35368 1/20 0.50
ESR1 P03372 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL4423053 0.89 POLB (0.56) POLBMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL4422983 0.87 ESR1 (0.55) KMT2AALDH1A1MEN1HTR1AESR1
SCHEMBL4416936 0.87 MAPT (0.59) KMT2AMEN1GAAMAPTLMNA
SCHEMBL4417118 0.87 ESR1 (0.50) POLBMAPK1KMT2AALDH1A1MEN1
SCHEMBL4415467 0.87 HTR1A (0.51) CYP2D6KMT2AALDH1A1MEN1HTR1A
SCHEMBL4420507 0.84 HTR7 (0.51) POLBKMT2AALDH1A1MEN1ESR1
SCHEMBL4428470 0.84 MAPT (0.58) POLBKMT2AALDH1A1MEN1ESR1
SCHEMBL4423130 0.83 ACHE (0.57) MAPK1KMT2AALDH1A1HTR1AESR1
SCHEMBL4419759 0.83 ACHE (0.50) MAPK1ALDH1A1HTR1AESR1SMN1; SMN2
SCHEMBL4419294 0.81 MAPT (0.57) POLBMAPK1KMT2AALDH1A1MEN1

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 POLB 4815/4885MAPK1 3177/4885CYP2D6 3257/4885

“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.