SCHEMBL3278947

SCHEMBL3278947

NCC1CCCCC1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.48
SLC6A11 P48066 3/20 0.48
SLC6A13 Q9NSD5 3/20 0.48
GABRR1 P24046 4/20 0.41
GABRR2 P28476 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.37
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
GRIN2D O15399 5/20 0.35
GRIN3B O60391 5/20 0.35
GRIN1 Q05586 5/20 0.35
GRIN2A Q12879 5/20 0.35
GRIN2B Q13224 5/20 0.35
GRIN2C Q14957 5/20 0.35
GRIN3A Q8TCU5 5/20 0.35
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 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
SCHEMBL27569047 0.95 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13GABRR1GABRR2
SCHEMBL19032979 0.91 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13GABRR1GABRR2
SCHEMBL1925986 0.88 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13GABRR1ALDH1A1
SCHEMBL29697589 0.85 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13GABRR1ALDH1A1
Bicarbonate SCHEMBL31059126 0.85 GABRR1 (0.48) SLC6A12SLC6A11SLC6A13GABRR1GABRR2
SCHEMBL11051978 0.83 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13GABRR1ALDH1A1
SCHEMBL2316031 0.79 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13GABRR1ALDH1A1
SCHEMBL14361052 0.78 CA1 (0.52) SLC6A12SLC6A11SLC6A13GRIN2DGRIN3B
SCHEMBL7410374 0.77 SLC6A12 (0.60) SLC6A12SLC6A11SLC6A13GABRR1ALDH1A1
SCHEMBL3742078 0.77 SLC6A12 (0.60) SLC6A12SLC6A11SLC6A13GABRR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226924-B2 Methods of treating or preventing neuropathic pain TORAY INDUSTRIES, INC. (JP) 2016-01-05 US disclosed
US-20150105430-A1 METHODS OF TREATING OR PREVENTING NEUROPATHIC PAIN TORAY INDUSTREIS INC (JP) 2015-04-16 US disclosed
EP-2599487-B1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR NEUROPATHIC PAIN TORAY INDUSTRIES (JP) 2015-04-01 EP disclosed
US-8957099-B2 Treatment of ADHD GOSFORTH CENTRE (HOLDINGS) PTY LTD. (AU) 2015-02-17 US disclosed
US-8946267-B2 Therapeutic agent or prophylactic agent for neuropathic pain TORAY INDUSTRIES, INC. (JP) 2015-02-03 US disclosed
US-20140080055-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140080055-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-03-20 US disclosed
EP-2599487-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR NEUROPATHIC PAIN Toray Industries, Inc. (JP) 2013-06-05 EP disclosed
US-20130131120-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR NEUROPATHIC PAIN TORAY INDUSTRIES, INC. (JP) 2013-05-23 US disclosed
US-20100087422-A1 TREATMENT OF ADHD GOSFORTH CENTRE (HOLDINGS) PTY LTD (AU) 2010-04-08 US disclosed
EP-0224751-B1 DIPHOSPHONIC-ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1990-01-24 EP disclosed
US-4719203-A CALCIUM METABOLISM DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1988-01-12 US disclosed
EP-0224751-A1 Diphosphonic-acid derivatives, process for preparing them and medicines containing these compounds Roche Diagnostics GmbH (DE) 1987-06-10 EP 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-20130131120-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR NEUROPATHIC PAIN CACNG2, TRPV1, CACNB2 SLC6A12 624/4885SLC6A11 296/4885SLC6A13 299/4885
US-20150105430-A1 METHODS OF TREATING OR PREVENTING NEUROPATHIC PAIN CACNB2, CACNG2, SCN2A SLC6A12 367/4885SLC6A11 235/4885SLC6A13 209/4885

“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.