SCHEMBL2861077

SCHEMBL2861077

O=C(O)C(CO)NC(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.44
POLB P06746 3/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.39
EPHX2 P34913 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MME P08473 3/20 0.37
CPB2 Q96IY4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4728438 0.81 MME (0.45) POLBGAAEPHX2PKMSMN1; SMN2
SCHEMBL2860695 0.81 POLB (0.51) POLBGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL1038171 0.81 ECE1 (0.42) POLBGAAHTTCPB2ALDH1A1
SCHEMBL7341199 0.81 GAA (0.62) POLBGAAMMP2ALDH1A1
SCHEMBL7040252 0.81 GAA (0.62) POLBGAAMMP2ALDH1A1
SCHEMBL3966807 0.81 GAA (0.62) POLBGAAMMP2ALDH1A1
SCHEMBL1604394 0.81 FOLH1 (0.55) GAAEPHX2
SCHEMBL6874696 0.78 CPB2 (0.55) POLBHTTCPB2
SCHEMBL7338607 0.76 POLB (0.73) POLBGAAMMEALDH1A1HSD17B10
SCHEMBL7338599 0.76 POLB (0.73) POLBGAAMMEALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278329-B2 Antagonizing N-type calcium channels; use as analgesic, neurodegenerative diseases, brain injury, bronchial asthma, unstable angina and irritable colitis, drug withdrawal symptoms; t-butyl 2-[4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-piperidinyl]-2-oxoethylcarbamate for example AJINOMOTO CO., INC. (JP) 2012-10-02 US disclosed
US-7713957-B2 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2010-05-11 US disclosed
US-7462630-B2 Diarylalkene derivatives and novel diarylalkane derivatives AJINOMOTO CO., INC. (JP) 2008-12-09 US disclosed
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-03-06 US disclosed
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 US disclosed
EP-1481673-A1 MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST Ajinomoto Co., Inc. (JP) 2004-12-01 EP disclosed
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives AJINOMOTO CO., INC. (JP) 2004-08-26 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 (3 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-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist CACNA1B, CACNA1G, CACNA1C TGFBR1 1892/4885POLB 4239/4885GAA 1057/4885
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives CACNA1E, CACNA1H, CACNA1D TGFBR1 3062/4885POLB 4213/4885GAA 3982/4885
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES CACNA1E, CACNA1D, CACNA1H TGFBR1 2586/4885POLB 4276/4885GAA 4263/4885

“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.