SCHEMBL2648627

SCHEMBL2648627

CC1CNCCN1C(=O)c1[c]cccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
PLD1 Q13393 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
HTR2C P28335 3/20 0.36
PAK4 O96013 4/20 0.35
SIGMAR1 Q99720 1/20 0.35
PAK1 Q13153 2/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
USP19 O94966 1/20 0.33
DPP7 Q9UHL4 2/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 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
SCHEMBL18398020 0.83 CA1 (0.44) DPP4CA1CA2CA4CA9
SCHEMBL28799040 0.82 PAK4 (0.38) DPP4PLD1CA1CA2CA4
SCHEMBL28799041 0.82 PAK4 (0.38) DPP4PLD1CA1CA2CA4
SCHEMBL15415537 0.80 DPP4 (0.40) DPP4PLD1HTR2CPAK4PAK1
SCHEMBL1090149 0.79 SIGMAR1 (0.54) DPP4CA1CA2CA4CA9
SCHEMBL1090152 0.79 SIGMAR1 (0.54) DPP4CA1CA2CA4CA9
SCHEMBL1763575 0.79 SIGMAR1 (0.54) DPP4CA1CA2CA4CA9
SCHEMBL3762317 0.78 DPP4 (0.41) DPP4PLD1HTR2CHPGDHTR2A
Hydrochloric Acid SCHEMBL1763150 0.77 SIGMAR1 (0.53) DPP4CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL3710664 0.77 SIGMAR1 (0.53) DPP4CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US claimed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
US-6333336-B1 GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION MERCK SHARP & DOHME LTD. (GB) 2001-12-25 US disclosed
US-6248743-B1 ANTITHROMBOTIC AGENTS EFFECTIVE TO INHIBIT THE PRODUCTION OF TYPE 1 PLASMINOGEN ACTIVATOR INHIBITOR (PAI-1) TANABE SEIYAKU CO., LTD. (JP) 2001-06-19 US disclosed
EP-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 WO disclosed
EP-0889879-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1999-01-13 EP disclosed
WO-1997036864-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1997-10-09 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 (1 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A DPP4 3048/4885PLD1 3254/4885CA1 3478/4885

“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.