SCHEMBL736033

SCHEMBL736033

[CH]1CCC(N2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 8/20 0.46
L3MBTL1 Q9Y468 7/20 0.46
MBTD1 Q05BQ5 5/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53BP1 Q12888 2/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
FYN P06241 1/20 0.39
OPRL1 P41146 1/20 0.38

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
SCHEMBL737288 1.00 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL736494 1.00 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL736079 0.97 L3MBTL3 (0.48) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL28566298 0.92 L3MBTL3 (0.43) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL737566 0.87 L3MBTL3 (0.40) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL737518 0.87 L3MBTL3 (0.40) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL735577 0.87 L3MBTL3 (0.40) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL738309 0.84 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL19312856 0.84 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL28863163 0.83 CYP2D6 (0.48) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0371390-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1990-06-06 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 (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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 L3MBTL3 2226/4885L3MBTL1 1803/4885MBTD1 1094/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 L3MBTL3 3251/4885L3MBTL1 2929/4885MBTD1 2315/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 L3MBTL3 2251/4885L3MBTL1 1506/4885MBTD1 2529/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 L3MBTL3 2714/4885L3MBTL1 2263/4885MBTD1 3244/4885

“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.