SCHEMBL1206593

SCHEMBL1206593

CCCN(CCC)Cc1ccc(N)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.78
▸ HRH3 Q9Y5N1 4/20 0.69
▸ BCHE P06276 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3156308 0.88 MAPT (0.62) MAPTHRH3BCHE
SCHEMBL18347163 0.88 MAPT (1.00) MAPTHRH3BCHECYP1A2CYP2D6
SCHEMBL14385144 0.86 MAPT (0.60) MAPTHRH3BCHECYP1A2CYP2D6
SCHEMBL18780117 0.83 HRH3 (0.57) MAPTHRH3BCHECYP1A2CYP2D6
SCHEMBL13078725 0.83 HRH3 (0.69) MAPTHRH3BCHECYP1A2CYP2D6
SCHEMBL12156636 0.82 MAPT (0.56) MAPTHRH3
SCHEMBL3113481 0.82 MAPT (0.64) MAPTHRH3BCHE
SCHEMBL1956276 0.82 MAPT (0.64) MAPTHRH3GFERALDH1A1CYP3A4
SCHEMBL1813157 0.82 HRH3 (0.67) MAPTHRH3GFERALDH1A1CYP3A4
SCHEMBL16700402 0.81 MAPT (0.61) MAPTHRH3GFERALDH1A1CYP3A4

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
CN-114957082-B Lysosome targeting fluorescent probe and preparation method and application thereof 苏州优逸兰迪生物科技有限公司 2024-03-26 — — CN disclosed
CN-114957082-A Lysosome targeted fluorescent probe and preparation method and application thereof 苏州优逸兰迪生物科技有限公司 2022-08-30 — — CN disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 — — EP disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 — — EP disclosed
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-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 — — US disclosed
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 — — US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 — — EP disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 — — US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 — — EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 — — WO disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 — — US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 — — 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 (4 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 MAPT 3333/4885HRH3 77/4885BCHE 1351/4885
US-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 MAPT 3413/4885HRH3 57/4885BCHE 2765/4885
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF NR0B2, NR1D2, NR0B1 MAPT 3600/4885HRH3 54/4885BCHE 1799/4885
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 MAPT 4739/4885HRH3 66/4885BCHE 3636/4885

“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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