SCHEMBL1206463

SCHEMBL1206463

CCCN(CCC)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.55
▸ LOXL2 Q9Y4K0 1/20 0.54
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP4A11 Q02928 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CYP4F2 P78329 1/20 0.49
▸ LPAR1 Q92633 1/20 0.48
▸ LPAR5 Q9H1C0 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ CA12 O43570 1/20 0.47

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
SCHEMBL20879369 0.94 ALDH1A1 (0.54) HRH3LOXL2MAPTALDH1A1CYP4A11
SCHEMBL13378268 0.88 PDE6D (0.45) HRH3LOXL2MAPTALDH1A1CYP4A11
SCHEMBL13378256 0.88 PDE6D (0.45) HRH3LOXL2MAPTALDH1A1CYP4A11
SCHEMBL10995347 0.88 LPAR1 (0.50) LOXL2MAPTALDH1A1CYP4A11KDM4E
SCHEMBL7471752 0.87 SMN1; SMN2 (0.56) LOXL2MAPTALDH1A1CYP4A11KDM4E
SCHEMBL7468445 0.87 CYP4A11 (0.58) LOXL2MAPTALDH1A1CYP4A11KDM4E
SCHEMBL13378261 0.87 PDE6D (0.47) HRH3LOXL2MAPTALDH1A1CYP4A11
SCHEMBL5068516 0.86 HDAC8 (0.65) HRH3LOXL2MAPTALDH1A1CYP4A11
SCHEMBL4741255 0.85 LOXL2 (0.53) LOXL2MAPTALDH1A1CYP4A11KDM4E
SCHEMBL1638297 0.84 SIGMAR1 (0.47) LOXL2ALDH1A1CYP4A11KDM4ECYP4F2

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 HRH3 77/4885LOXL2 4133/4885MAPT 3333/4885
US-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 HRH3 57/4885LOXL2 4126/4885MAPT 3413/4885
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF NR0B2, NR1D2, NR0B1 HRH3 54/4885LOXL2 4315/4885MAPT 3600/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 HRH3 64/4885LOXL2 3824/4885MAPT 3184/4885
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 HRH3 66/4885LOXL2 3805/4885MAPT 4739/4885

“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.

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