SCHEMBL4415467

SCHEMBL4415467

O=C(CCn1ccnc1-c1ccccc1)NCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
ESR1 P03372 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRK1 P41145 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46

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 0.93 ESR1 (0.55) HTR1AESR1MEN1KMT2AALDH1A1
SCHEMBL4419759 0.89 ACHE (0.50) HTR1AESR1ALDH1A1LMNAHTR7
SCHEMBL4422261 0.88 KMT2A (0.52) HTR1AMEN1KMT2AALDH1A1LMNA
SCHEMBL4416029 0.87 POLB (0.54) HTR1AESR1MEN1KMT2AALDH1A1
SCHEMBL4425649 0.86 LMNA (0.52) HTR1AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL4419294 0.85 MAPT (0.57) HTR1AMEN1KMT2AALDH1A1LMNA
SCHEMBL4423130 0.83 ACHE (0.57) HTR1AESR1KMT2AALDH1A1LMNA
SCHEMBL4417118 0.83 ESR1 (0.50) HTR1AESR1MEN1KMT2AALDH1A1
SCHEMBL4420407 0.82 ALDH1A1 (0.50) HTR1AMEN1KMT2AALDH1A1GAA
SCHEMBL4416936 0.81 MAPT (0.59) MEN1KMT2ALMNAGAAHTR7

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 1240/4885ESR1 4432/4885MEN1 2657/4885

“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.