SCHEMBL4416213

SCHEMBL4416213

Cc1cccc(CN2CCN(CCNC(=O)CCn3ccnc3-c3ccccc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
FAAH O00519 6/20 0.48
ACHE P22303 6/20 0.48
BCHE P06276 3/20 0.48
ESR1 P03372 1/20 0.48
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4423130 0.92 ACHE (0.57) ALDH1A1HTTLMNATSHRUSP2
SCHEMBL4415355 0.90 ACHE (0.50) ALDH1A1HTTLMNATSHRUSP2
SCHEMBL4419747 0.86 HTT (0.52) ALDH1A1HTTTSHRFAAHACHE
SCHEMBL4419759 0.85 ACHE (0.50) ALDH1A1HTTLMNATSHRUSP2
SCHEMBL4420507 0.83 HTR7 (0.51) ALDH1A1HTTESR1HTR7MEN1
SCHEMBL4417106 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHTTLMNATSHR
SCHEMBL4422983 0.82 ESR1 (0.55) ALDH1A1TSHRACHEBCHEESR1
SCHEMBL4417118 0.81 ESR1 (0.50) ALDH1A1KDM4EHTTLMNATSHR
SCHEMBL4416936 0.80 MAPT (0.59) HTTLMNAHTR7MEN1KMT2A
SCHEMBL4419294 0.80 MAPT (0.57) ALDH1A1LMNAUSP2MAPK1HTR1A

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 ALDH1A1 3972/4885KDM4E 3658/4885HTT 2680/4885

“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.