SCHEMBL6316031

SCHEMBL6316031

CNC1CCCN1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 8/20 0.40
▸ CHRM4 P08173 8/20 0.40
▸ CHRM5 P08912 8/20 0.40
▸ CHRM1 P11229 8/20 0.40
▸ CHRM3 P20309 8/20 0.40
▸ FAP Q12884 3/20 0.39
▸ PREP P48147 2/20 0.39
▸ DPP4 P27487 2/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37

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
SCHEMBL21460226 0.83 RIPK1 (0.37) FAPPREPDPP4
SCHEMBL20055272 0.82 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21319546 0.79 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20663620 0.79 DPP4 (0.40) FAPPREPDPP4DPP8DPP9
SCHEMBL27879636 0.79 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15392569 0.78 HPGD (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19890684 0.77 SRC (0.42) DPP4DPP8DPP9
SCHEMBL29099425 0.77 THRB (0.45) CHRM1
SCHEMBL24244444 0.76 DPP4 (0.34) PREPDPP4DPP8DPP9
SCHEMBL12208420 0.76 CYP3A4 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309157-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2019-09-04 — — EP disclosed
EP-2364148-B1 COMBINATION OF ROCAGLAMIDE AND APOPTOSIS INDUCING SUBSTANCES FOR THE TREATMENT OF CANCER DKFZ DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2018-07-18 — — EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-20160287553-A1 TRANSLATION INHIBITORS IN HIGH-DOSE CHEMO- AND/OR HIGH-DOSE RADIOTHERAPY DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-10-06 — — US disclosed
US-9387192-B2 Combination of rocaglamide and apoptosis inducing substances for the treatment of cancer DKFZ DEUTCHERS KREBSFORSCHUNGSZENTRUM (DE) 2016-07-12 — — US disclosed
US-20160158189-A1 SENSITIZATION OF CANCER CELLS TO APOPTOSIS INDUCTION BY FLAVAGLINES AND 5-HYDROXY-FLAVONES DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-06-09 — — US disclosed
WO-2015075165-A1 TRANSLATION INHIBITORS IN HIGH-DOSE CHEMO- AND/OR HIGH-DOSE RADIOTHERAPY DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2015-05-28 — — WO disclosed
WO-2015007714-A1 SENSITIZATION OF CANCER CELLS TO APOPTOSIS INDUCTION BY FLAVAGLINES AND 5-HYDROXY-FLAVONES DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2015-01-22 — — WO disclosed
US-20110250166-A1 COMBINATION OF ROCAGLAMIDE AND APOPTOSIS INDUCING SUBSTANCES FOR THE TREATMENT OF CANCER DKFZ DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2011-10-13 — — US disclosed
WO-2010057981-A1 COMBINATION OF ROCAGLAMIDE AND APOPTOSIS INDUCING SUBSTANCES FOR THE TREATMENT OF CANCER DKFZ DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-05-27 — — WO disclosed
EP-2189158-A1 Combination of rocaglamide and apoptosis inducing substances for the treatment of cancer DKFZ Deutsches Krebsforschungszentrum, Stiftung des Öffentlichen Rechts (DE) 2010-05-26 — — EP disclosed
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 — — US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 — — EP disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 — — US disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 — — 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 (6 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRM2 4881/4885CHRM4 4849/4885CHRM5 4859/4885
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 CHRM2 1619/4885CHRM4 1365/4885CHRM5 1602/4885
US-20110250166-A1 COMBINATION OF ROCAGLAMIDE AND APOPTOSIS INDUCING SUBSTANCES FOR THE TREATMENT OF CANCER BAD, BID, CASP2 CHRM2 4334/4885CHRM4 4175/4885CHRM5 4467/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 CHRM2 1483/4885CHRM4 1170/4885CHRM5 1461/4885
US-20160287553-A1 TRANSLATION INHIBITORS IN HIGH-DOSE CHEMO- AND/OR HIGH-DOSE RADIOTHERAPY EIF4E, EIF4EBP1, EIF5B CHRM2 4875/4885CHRM4 4885/4885CHRM5 4707/4885
US-20160158189-A1 SENSITIZATION OF CANCER CELLS TO APOPTOSIS INDUCTION BY FLAVAGLINES AND 5-HYDROXY-FLAVONES CASP5, API5, BAX CHRM2 4790/4885CHRM4 4643/4885CHRM5 2050/4885

“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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