SCHEMBL14311906

SCHEMBL14311906

CN1CCC(O)C(C(N)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A4 P31645 4/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ NCF1 P14598 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL14311983 0.98 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3EPHX1ALDH1A1
SCHEMBL26894780 0.84 EPHX1 (0.36) SLC6A2SLC6A4SLC6A3EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL27903858 0.82 EPHX1 (0.35) SLC6A2SLC6A4SLC6A3EPHX1ALDH1A1
SCHEMBL23269569 0.82 EPHX1 (0.38) SLC6A2SLC6A4SLC6A3EPHX1ALDH1A1
SCHEMBL13544648 0.82 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL13544944 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14593819 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL13544642 0.82 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL19781548 0.82 EPHX1 (0.38) SLC6A2SLC6A4SLC6A3EPHX1ALDH1A1
SCHEMBL13544941 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1

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
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 — — EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 — — US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 — — US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 — — US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 — — US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 — — US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 — — 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 SLC6A2 948/4885SLC6A4 1865/4885SLC6A3 1546/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 SLC6A2 606/4885SLC6A4 1459/4885SLC6A3 868/4885

“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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