SCHEMBL1928125

SCHEMBL1928125

FC1(F)CCN(c2ncc(Br)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.39
▸ PDE10A Q9Y233 1/20 0.37
▸ CNR2 P34972 4/20 0.36
▸ TRPV3 Q8NET8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ PANK3 Q9H999 1/20 0.35
▸ MAP3K12 Q12852 2/20 0.34
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ MBOAT4 Q96T53 1/20 0.33
▸ CXCR3 P49682 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
SCHEMBL1928647 0.89 TRPV3 (0.42) DPP4TRPV3KDM4EADRA1APANK3
SCHEMBL9988621 0.85 KDM4E (0.39) DPP4PDE10AKDM4EPANK3CXCR3
SCHEMBL17656700 0.82 DPP4 (0.39) DPP4PDE10ACNR2TRPV3ADRA1A
SCHEMBL17316736 0.78 GRIN2D (0.47) PDE10AADRA1APANK3CXCR3
SCHEMBL28590337 0.78 POLB (0.55) DPP4CNR2KDM4EADRA1AFAP
SCHEMBL19668386 0.78 OGA (0.40) DPP4PDE10ACNR2TRPV3ADRA1A
SCHEMBL31728275 0.76 F2RL1 (0.39) DPP4CNR2DPP8DPP9
SCHEMBL1292282 0.73 PANK3 (0.40) ADRA1APANK3CXCR3
SCHEMBL29225192 0.72 HRH3 (0.43) PDE10ACNR2MBOAT4
SCHEMBL30749071 0.72 DPP4 (0.36) DPP4PDE10ACNR2TRPV3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20130143860-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 — — US disclosed
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 — — WO disclosed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 — — US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 — — US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 — — EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 — — US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 — — US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 — — US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 — — EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 — — 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 (5 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 DPP4 560/4885PDE10A 548/4885CNR2 3/4885
US-20130143860-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB DPP4 1420/4885PDE10A 516/4885CNR2 3780/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 DPP4 971/4885PDE10A 825/4885CNR2 21/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 DPP4 560/4885PDE10A 548/4885CNR2 3/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB DPP4 1420/4885PDE10A 516/4885CNR2 3780/4885

“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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