SCHEMBL8320131

SCHEMBL8320131

NCC1(CC=O)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 1/20 0.54
CACNA2D1 P54289 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL9258509 0.98 USP2 (0.50) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL14128879 0.85 USP2 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL24230295 0.77 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL8318502 0.77 USP2 (0.45) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1843862 0.76 ALDH1A1 (0.30) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2351774 0.76 ALDH1A1 (0.48) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL980620 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL17583500 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4048080 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL671851 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3900715-A1 SYNERGISTIC ADMIXTURES OF GABAPENTIN AND KETOPROFEN, PHARMACEUTICAL COMPOSITIONS AND THEIR MEDICAL USE Dompe' Farmaceutici S.P.A. (IT) 2021-10-27 EP disclosed
EP-2897600-B1 TREATMENT OF MOTOR NEURONOPATHIES CENTRE NATIONAL DE LA RECHERCHE SCIENT (C N R S ) (FR) 2018-01-31 EP disclosed
US-20110306600-A1 NOVEL THERAPEUTIC COMPOUNDS GRUNENTHAL GMBH (DE) 2011-12-15 US disclosed
EP-1404324-B2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2011-04-06 EP disclosed
EP-2196201-A2 Combination of an alpha-2-delta ligand with a pdev inhibitor or a muscarinic antagonist to treat lower urinary tract symptoms Warner-Lambert Company LLC (US) 2010-06-16 EP disclosed
US-7442834-B2 Process suitable for industrial scale production of gabapentin ZHEJIANG CHIRAL MEDICINE CHEMICALS CO., LTD. (CN) 2008-10-28 US disclosed
WO-2008103319-A2 COMPOUNDS AND METHODS FOR USE IN DETECTING GABAPENTIN ARK DIAGNOSTICS, INC. (US) 2008-08-28 WO disclosed
US-20080188562-A1 1-{[ alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid and 3-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-5-methyl hexanoic acid; extended oral release dosage form with a reduced rate of systemic clearance and without significant side effects XENOPORT, INC. 2008-08-07 US disclosed
WO-2004089289-A2 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2004-10-21 WO disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO 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 (2 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-20080188562-A1 1-{[ alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid and 3-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-5-methyl hexanoic acid; extended oral release dosage form with a reduced rate of systemic clearance and without significant side effects GABRB1, GABBR1, GABRB2 USP2 1005/4885ALDH1A1 148/4885LMNA 3308/4885
US-20110306600-A1 NOVEL THERAPEUTIC COMPOUNDS NLN, CLN6, INA USP2 2895/4885ALDH1A1 917/4885LMNA 3726/4885

“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.