SCHEMBL4904835

SCHEMBL4904835

O=C(CCc1ccc(-c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.68
CACNA2D1 P54289 7/20 0.60
CACNA1B Q00975 7/20 0.60
CACNB1 Q02641 7/20 0.60
CACNA1C Q13936 6/20 0.60
CACNA1H O95180 1/20 0.60
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 2/20 0.55
CACNA1G O43497 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
MAOB P27338 1/20 0.52

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
SCHEMBL16598967 0.88 CACNA2D1 (0.59) NAAACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL9345949 0.84 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL2293693 0.83 CACNA1C (0.69) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL16333764 0.82 NAAA (1.00) NAAAALDH1A1NPC1TDP1KMT2A
SCHEMBL7131839 0.78 NPC1 (0.86) NAAAALDH1A1NPC1TDP1KMT2A
SCHEMBL4778274 0.77 DPP4 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL6160941 0.77 CACNA1G (0.69) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL6162758 0.77 CACNA1G (0.85) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5775411 0.77 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL10130744 0.76 NPC1 (0.67) NAAAALDH1A1NPC1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed

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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 NAAA 240/4885CACNA2D1 4234/4885CACNA1B 2643/4885

“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.