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SCHEMBL1206643

SCHEMBL1206643

CCCN(CCC)Cc1ccc(C(=O)Nc2ccc(CN(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.51
▸ RORC P51449 2/20 0.45
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ BDKRB2 P30411 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1205268 1.00 CXCR4 (0.51) CXCR4RORCCA12CA9BDKRB2
SCHEMBL1206089 0.96 CXCR4 (0.48) CXCR4RORCCA12CA9HIF1A
SCHEMBL1204800 0.93 CXCR4 (0.46) CXCR4RORCCA12CA9BDKRB2
SCHEMBL13044277 0.91 CXCR4 (0.44) CXCR4RORCCA12CA9BDKRB2
SCHEMBL1206705 0.91 HIF1A (0.55) CXCR4RORCHIF1AEPAS1SMN1; SMN2
SCHEMBL1205876 0.91 CXCR4 (0.44) CXCR4RORCSMN1; SMN2LMNAMEN1
SCHEMBL1206016 0.91 CXCR4 (0.44) CXCR4RORCCA12CA9BDKRB2
SCHEMBL1205475 0.91 CXCR4 (0.44) CXCR4RORCCA12CA9HIF1A
SCHEMBL1204953 0.91 CXCR4 (0.44) CXCR4RORCCA12CA9HIF1A
SCHEMBL1206547 0.90 CXCR4 (0.46) CXCR4RORCCA12CA9TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 CXCR4 90/4885RORC 178/4885CA12 2976/4885
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF NR0B2, NR1D2, NR0B1 CXCR4 76/4885RORC 290/4885CA12 1427/4885
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 CXCR4 1/4885RORC 225/4885CA12 2935/4885

“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.