SCHEMBL1206705

SCHEMBL1206705

CCCN(CCC)Cc1ccc(NC(=O)c2ccc(CN(Cc3cccnc3)Cc3ncc[nH]3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.55
EPAS1 Q99814 3/20 0.55
RORC P51449 1/20 0.52
TRPV1 Q8NER1 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.45
CXCR4 P61073 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1206643 0.91 CXCR4 (0.51) HIF1AEPAS1RORCTRPV1SMN1; SMN2
SCHEMBL1205268 0.91 CXCR4 (0.51) HIF1AEPAS1RORCTRPV1SMN1; SMN2
SCHEMBL1206089 0.89 CXCR4 (0.48) HIF1AEPAS1RORCSMN1; SMN2RAB9A
SCHEMBL1205475 0.88 CXCR4 (0.44) HIF1AEPAS1RORCTRPV1SMN1; SMN2
SCHEMBL1206547 0.86 CXCR4 (0.46) RORCTRPV1CXCR4
SCHEMBL1205312 0.85 CXCR4 (0.43) HIF1AEPAS1RORCTRPV1NPC1
SCHEMBL1205876 0.85 CXCR4 (0.44) RORCSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1204800 0.84 CXCR4 (0.46) RORCSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1204953 0.84 CXCR4 (0.44) HIF1AEPAS1RORCTRPV1SMN1; SMN2
SCHEMBL1205370 0.84 CXCR4 (0.43) HIF1AEPAS1RORCNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-02-24 US claimed
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 claimed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US claimed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP claimed
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-02-24 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-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-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-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-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-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
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
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
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
CN-1646495-A Amine compounds and use thereof KUREHA CHEMICAL IND CO LTD (JP) 2005-07-27 CN 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 (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-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 HIF1A 1220/4885EPAS1 2414/4885RORC 178/4885
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF NR0B2, NR1D2, NR0B1 HIF1A 2019/4885EPAS1 3409/4885RORC 290/4885
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 HIF1A 838/4885EPAS1 2579/4885RORC 225/4885

“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.