SCHEMBL4422261

SCHEMBL4422261

COc1ccc(N2CCN(CCNC(=O)CCn3ccnc3-c3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
OPRK1 P41145 1/20 0.52
HTR1A P08908 1/20 0.51
DRD4 P21917 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HTR7 P34969 1/20 0.50
KDM4E B2RXH2 1/20 0.50
FAAH O00519 1/20 0.49
ACHE P22303 1/20 0.49
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
GFER P55789 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
SCHEMBL4422983 0.91 ESR1 (0.55) KMT2AHTR1AALDH1A1HTR7ACHE
SCHEMBL4415467 0.88 HTR1A (0.51) KMT2AOPRK1HTR1AALDH1A1HTR7
SCHEMBL4415936 0.85 MAPK1 (0.57) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4419294 0.83 MAPT (0.57) KMT2AHTR1AALDH1A1HTR7HTR2A
SCHEMBL4420407 0.82 ALDH1A1 (0.50) KMT2AHTR1AALDH1A1HTR7DRD2
SCHEMBL4416936 0.81 MAPT (0.59) KMT2AHTR7HTR2ALMNAMEN1
SCHEMBL4423130 0.81 ACHE (0.57) KMT2AHTR1AALDH1A1HTR7FAAH
SCHEMBL4416029 0.81 POLB (0.54) KMT2AHTR1AALDH1A1DRD2HTR2A
SCHEMBL4420507 0.80 HTR7 (0.51) KMT2AALDH1A1HTR7HTR2AMEN1
SCHEMBL4417598 0.80 DRD4 (0.53) KMT2AHTR1ADRD4ALDH1A1HTR7

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 KMT2A 4575/4885OPRK1 455/4885HTR1A 1240/4885

“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.