SCHEMBL4422243

SCHEMBL4422243

Cc1cn(CCC(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
FAAH O00519 6/20 0.44
ACHE P22303 6/20 0.44
BCHE P06276 3/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4419744 0.91 ACHE (0.52) MAPK1FAAHACHEBCHEHTR1A
SCHEMBL4416126 0.90 HTR1A (0.56) MAPK1FAAHACHEBCHEHTR1A
SCHEMBL4413983 0.88 ACHE (0.58) FAAHACHEBCHE
SCHEMBL4417227 0.88 LMNA (0.52) HTR1AUSP2LMNATSHR
SCHEMBL4423233 0.87 CCR3 (0.51) FAAHACHEBCHEHTT
SCHEMBL4420387 0.85 PRKAA2 (0.47) HTR7
SCHEMBL4419298 0.84 ALDH1A1 (0.51) MAPK1FAAHACHEBCHEHTR1A
SCHEMBL4420491 0.80 POLB (0.56) MAPK1HTR1ATSHRHTT
SCHEMBL4417664 0.80 MAPK1 (0.47) MAPK1FAAHACHEBCHEHTR1A
SCHEMBL4420419 0.79 HSD17B10 (0.50) MAPK1HTR1AHTR7LMNATSHR

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 MAPK1 3177/4885FAAH 1217/4885ACHE 356/4885

“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.