SCHEMBL2928741

SCHEMBL2928741

CCCN1[C@H](C)CNC[C@@H]1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.31

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
SCHEMBL24812981 1.00 FUCA1 (0.31) FUCA1
SCHEMBL2928744 1.00 FUCA1 (0.31) FUCA1
SCHEMBL3105701 0.86 MGAM (0.41)
SCHEMBL3093107 0.84 GUSB (0.38)
SCHEMBL3097827 0.82 GUSB (0.41)
SCHEMBL3089462 0.79 FUCA1 (0.33) FUCA1
SCHEMBL3590322 0.79 FUCA1 (0.33) FUCA1
SCHEMBL18569094 0.79 FUCA1 (0.33) FUCA1
SCHEMBL18580080 0.78 GBA1 (0.37) FUCA1
SCHEMBL4463519 0.78 ALOX15 (0.31) FUCA1

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
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
WO-2015120049-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-08-13 WO disclosed
WO-2014105664-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
WO-2014101113-A1 PIPERAZINE-SUBSTITUTED 7-METHOXY-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
EP-1419773-B1 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-06-04 EP disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
EP-1240141-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2003-11-19 EP disclosed
US-20030109532-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2003-06-12 US disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
US-4138566-A Piperazinyl cyclobutenones G. D. SEARLE & CO. (US) 1979-02-06 US disclosed
US-4036828-A 3,4-Bis(4-substituted piperazinyl)-3-cyclobutene-1,2-diones and related compounds G. D. SEARLE & CO. (US) 1977-07-19 US 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 (4 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-20030109532-A1 Modulators of dopamine neurotransmission OPRD1, CHRNA5, OPRM1 FUCA1 2894/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 FUCA1 796/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 FUCA1 796/4885
US-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 FUCA1 2249/4885

“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.