SCHEMBL4786744

SCHEMBL4786744

c1ccc(CC2CCN(CCCNc3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.67
SIGMAR1 Q99720 2/20 0.65
PRMT6 Q96LA8 3/20 0.63
CARM1 Q86X55 2/20 0.63
KCNH2 Q12809 1/20 0.62
SLC6A2 P23975 2/20 0.60
TMEM97 Q5BJF2 2/20 0.60
SLC6A4 P31645 1/20 0.60
SLC6A3 Q01959 1/20 0.60
PRMT3 O60678 1/20 0.60
PRMT1 Q99873 1/20 0.60
PRMT8 Q9NR22 1/20 0.60
HRH3 Q9Y5N1 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2B Q13224 1/20 0.59

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
Hydrochloric Acid SCHEMBL7195898 0.99 CCR3 (0.66) CCR3SIGMAR1PRMT6CARM1KCNH2
Hydrochloric Acid SCHEMBL5756731 0.99 CCR3 (0.66) CCR3SIGMAR1PRMT6CARM1KCNH2
SCHEMBL29448595 0.91 PRMT6 (0.71) CCR3SIGMAR1PRMT6CARM1SLC6A2
Hydrochloric Acid SCHEMBL6056689 0.91 CCR3 (0.71) CCR3SIGMAR1
SCHEMBL4771516 0.91 TMEM97 (0.62) CCR3SIGMAR1PRMT6CARM1KCNH2
Hydrochloric Acid SCHEMBL6056725 0.90 TMEM97 (0.61) CCR3SIGMAR1PRMT6CARM1KCNH2
Hydrochloric Acid SCHEMBL7469970 0.90 SLC6A2 (0.63) CCR3SIGMAR1PRMT6CARM1KCNH2
Hydrochloric Acid SCHEMBL7193482 0.90 TMEM97 (0.61) CCR3SIGMAR1PRMT6CARM1KCNH2
Hydrochloric Acid SCHEMBL7458618 0.88 SLC6A2 (0.58) CCR3SIGMAR1PRMT6CARM1KCNH2
SCHEMBL6056682 0.88 CCR3 (0.64) CCR3SIGMAR1PRMT6CARM1TMEM97

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
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM TSUCHIMORI NOBORU 2010-08-26 US disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1219605-B1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-10 EP disclosed
US-6787650-B1 CCR5 ANTAGONISTIC ACTIVITY; SUCH AS N-(3-(4-BENZYL-1-PIPERIDINYL)PROPYL)-N'-4-CHLOROPHENYL)-N-PHENYLUREA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-07 US disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed
EP-1219605-A1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-03 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 (2 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 CCR3 3/4885SIGMAR1 44/4885PRMT6 682/4885
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM CCR1, CCR3, CCR2 CCR3 2/4885SIGMAR1 2974/4885PRMT6 1646/4885

“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.