SCHEMBL3595934

SCHEMBL3595934

CC(=O)NC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.78
MEN1 O00255 4/20 0.78
L3MBTL1 Q9Y468 2/20 0.65
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.63
OPRK1 P41145 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL15249477 1.00 KMT2A (0.78) KMT2AMEN1L3MBTL1USP2LMNA
SCHEMBL3595931 1.00 KMT2A (0.78) KMT2AMEN1L3MBTL1USP2LMNA
SCHEMBL16250460 1.00 KMT2A (0.78) KMT2AMEN1L3MBTL1USP2LMNA
SCHEMBL1886766 1.00 KMT2A (0.78) KMT2AMEN1L3MBTL1USP2LMNA
Hydrochloric Acid SCHEMBL10854308 0.99 KMT2A (0.76) KMT2AMEN1L3MBTL1USP2LMNA
SCHEMBL10812960 0.94 KMT2A (0.72) KMT2AMEN1L3MBTL1USP2LMNA
SCHEMBL11243677 0.89 KMT2A (0.62) KMT2AMEN1L3MBTL1USP2LMNA
SCHEMBL4274767 0.88 L3MBTL1 (0.68) KMT2AMEN1L3MBTL1USP2LMNA
SCHEMBL12642603 0.87 KMT2A (0.80) KMT2AMEN1L3MBTL1USP2LMNA
SCHEMBL12356598 0.87 KMT2A (0.80) KMT2AMEN1L3MBTL1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822942-B1 BENZODIOXANES FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
EP-2822941-B1 BENZODIOXANES IN COMBINATION WITH STATINS FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
EP-2268646-B9 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-11-19 EP disclosed
EP-2268646-B1 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-10-02 EP disclosed
US-8357684-B2 Thyazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-22 US disclosed
US-8357684-B2 Thyazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-22 US disclosed
EP-2336125-B1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-09 EP disclosed
US-20110190503-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-08-04 US disclosed
US-20110190503-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-08-04 US disclosed
US-20110159563-A1 Thyazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-06-30 US disclosed
WO-2009126806-A2 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-10-15 WO disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed
US-4992546-A Process for preparing 6,8-diazabicyclo[3.2.2]nonane derivatives WARNER-LAMBERT COMPANY (US) 1991-02-12 US disclosed
US-4968799-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-11-06 US disclosed
US-4962108-A A QUIN-4-ONE HAVING THE FOLLOWING RING SUBSTITUENTS; 1-ALKYL OR PHENYL, 3-CARBOXY DERIVATIVE, 6-FLUORO AND 8-BRIDGED N-HETEROCYCLIC RING WARNER-LAMBERT COMPANY (US) 1990-10-09 US disclosed
US-4923879-A CARBOXYLIC ACID DERIVATIVES WITH BRIDGED SIDECHAINS WARNER-LAMBERT COMPANY (US) 1990-05-08 US disclosed
EP-0305744-A2 Quinoline, naphthyridine and benzoxazine-carboxylic acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-08 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 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 (3 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-20110159563-A1 Thyazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase LTA4H, LTC4S, LTB4R2 KMT2A 1664/4885MEN1 4545/4885L3MBTL1 1505/4885
US-20110190503-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase LTA4H, LTC4S, LTB4R2 KMT2A 1674/4885MEN1 4666/4885L3MBTL1 1560/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 KMT2A 4701/4885MEN1 4165/4885L3MBTL1 4314/4885

“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.