SCHEMBL4022095

SCHEMBL4022095

c1cc(CN2CCCNCC2)ccn1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.72
MEN1 O00255 1/20 0.72
CHRM2 P08172 1/20 0.72
CHRM1 P11229 1/20 0.72
ADRA2C P18825 1/20 0.72
CCR2 P41597 1/20 0.72
CXCL12 P48061 1/20 0.72
BLM P54132 1/20 0.72
KMT2A Q03164 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
HRH3 Q9Y5N1 1/20 0.72
HPGD P15428 1/20 0.62
CYP2D6 P10635 3/20 0.60
CYP3A4 P08684 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP2C19 P33261 1/20 0.60
SIGMAR1 Q99720 1/20 0.58

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
SCHEMBL209327 0.93 HPGD (0.70) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL27569479 0.91 HPGD (0.68) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL27862467 0.91 HPGD (0.68) CXCR4MEN1CHRM2CHRM1ADRA2C
Bromide SCHEMBL10860157 0.91 HPGD (0.68) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL29823623 0.87 CXCR4 (0.76) CXCR4MEN1CHRM2CHRM1ADRA2C
Plerixafor SCHEMBL1649655 0.84 CXCR4 (0.93) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL29490414 0.84 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL5611617 0.84 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
Plerixafor SCHEMBL19038 0.84 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL3994683 0.83 HRH3 (0.67) CCR2TDP1HRH3HPGDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616442-B1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2018-08-08 EP disclosed
US-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-05-25 US disclosed
US-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-05-25 US disclosed
US-9562037-B2 Synthesis and use of amine-containing flavonoids as potent anti-leishmanial agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-02-07 US disclosed
US-9562037-B2 Synthesis and use of amine-containing flavonoids as potent anti-leishmanial agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-02-07 US disclosed
US-20150239870-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2015-08-27 US disclosed
US-20150239870-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2015-08-27 US disclosed
EP-1082308-B1 HETEROCYCLICALLY SUBSTITUTED AMIDES USED AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2009-04-01 EP disclosed
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
US-6562827-B1 For the treatment of diseases in which increased calpain activity occurs such as neurodegenerative diseases or neuronal damage are caused by ischemia, trauma or mass hemorrhages ABBOTT LABORATORIES 2003-05-13 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
EP-1082308-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES USED AS CALPAIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-03-14 EP disclosed
WO-1999054305-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES USED AS CALPAIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-10-28 WO disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 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 (2 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-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS HNMT, TYR, PNMT CXCR4 1228/4885MEN1 3283/4885CHRM2 2130/4885
US-20150239870-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS HNMT, TYR, PNMT CXCR4 1228/4885MEN1 3283/4885CHRM2 2130/4885

“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.