SCHEMBL1205232

SCHEMBL1205232

CCCNc1cc(C(=O)OC)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 6/20 0.57
ERAP2 Q6P179 3/20 0.57
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 2/20 0.53
HDAC1 Q13547 1/20 0.52
HPGD P15428 3/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ATM Q13315 1/20 0.51
PTGER4 P35408 3/20 0.51
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL763198 0.91 LNPEP (0.62) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL5317595 0.88 GAA (0.67) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL2014323 0.88 LNPEP (0.56) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL20266373 0.87 PTGER4 (0.64) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL3720352 0.86 ALOX15 (0.46) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL24900104 0.85 LNPEP (0.56) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL22009883 0.84 KDM4E (0.50) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL23703820 0.84 KDM4E (0.52) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL16301235 0.84 PTGER4 (0.65) LNPEPERAP2KDM4EALDH1A1MAPT
SCHEMBL3718208 0.84 PTGER4 (0.48) LNPEPERAP2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-02-24 US disclosed
US-7833991-B2 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists KUREHA CORPORATION (JP) 2010-11-16 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
US-20070208033-A1 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists KUREHA CORPORATION (JP) 2007-09-06 US disclosed
US-7176227-B2 For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis KUREHA CORPORATION (JP) 2007-02-13 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP disclosed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 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 (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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 LNPEP 4384/4885ERAP2 3676/4885KDM4E 2406/4885
US-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 LNPEP 3899/4885ERAP2 2637/4885KDM4E 2589/4885
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF NR0B2, NR1D2, NR0B1 LNPEP 3612/4885ERAP2 2978/4885KDM4E 2192/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 LNPEP 4503/4885ERAP2 3789/4885KDM4E 2871/4885
US-20070208033-A1 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists CXCR4, CXCR6, CCR5 LNPEP 4493/4885ERAP2 2763/4885KDM4E 2675/4885

“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.