SCHEMBL2858041

SCHEMBL2858041

CCC(C)(CC)OC(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MME P08473 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ECE1 P42892 1/20 0.35
▸ PLA2G2A P14555 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CTH P32929 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CTSS P25774 3/20 0.33

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
SCHEMBL17906 0.81 MEN1 (0.52) EGLN1TDP1ALDH1A1LMNAMEN1
Bicarbonate SCHEMBL28028118 0.79 MEN1 (0.50) EGLN1TDP1ALDH1A1LMNAMEN1
SCHEMBL6679504 0.79 MEN1 (0.50) EGLN1TDP1ALDH1A1LMNAMEN1
Bicarbonate SCHEMBL28028120 0.79 MEN1 (0.50) EGLN1TDP1ALDH1A1LMNAMEN1
Ammonia Solution, Strong SCHEMBL28788409 0.79 MEN1 (0.50) EGLN1TDP1ALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL77819 0.79 MEN1 (0.50) EGLN1TDP1ALDH1A1LMNAMEN1
SCHEMBL9464092 0.79 MEN1 (0.50) EGLN1TDP1ALDH1A1LMNAMEN1
SCHEMBL6603412 0.79 MEN1 (0.50) EGLN1TDP1ALDH1A1LMNAMEN1
Methane SCHEMBL1486197 0.79 MEN1 (0.50) EGLN1TDP1ALDH1A1LMNAMEN1
SCHEMBL15613902 0.78 MEN1 (0.46) TDP1MAPTMEN1KMT2AGAA

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 EGLN1 4375/4885TDP1 4297/4885ALDH1A1 3427/4885
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives CACNA1E, CACNA1H, CACNA1D EGLN1 2171/4885TDP1 4397/4885ALDH1A1 2400/4885
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES CACNA1E, CACNA1D, CACNA1H EGLN1 3226/4885TDP1 3993/4885ALDH1A1 2116/4885

“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.

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