SCHEMBL4422033

SCHEMBL4422033

Cc1nccn1CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.65
ALDH1A1 P00352 5/20 0.54
CACNA2D1 P54289 3/20 0.53
CACNA1B Q00975 3/20 0.53
CACNB1 Q02641 3/20 0.53
CACNA1C Q13936 2/20 0.53
CACNA1H O95180 1/20 0.53
USP2 O75604 2/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.49

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
SCHEMBL4417350 0.88 ESR1 (0.58) P2RX7ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL4418622 0.83 P2RX7 (0.67) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL4422476 0.82 HTR7 (0.60) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4413950 0.81 HTR7 (0.61) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL4419616 0.77 CACNA2D1 (0.53) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4422023 0.76 MAPT (0.60) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4417108 0.74 ALDH1A1 (0.59) ALDH1A1USP2MAPK1KMT2AMEN1
SCHEMBL6160941 0.74 CACNA1G (0.69) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4413975 0.74 ESR1 (0.65) MAPK1KMT2AMEN1LMNATSHR
SCHEMBL4429576 0.73 HTR1A (0.64) ALDH1A1KMT2AMEN1MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 P2RX7 262/4885ALDH1A1 3972/4885CACNA2D1 45/4885

“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.