SCHEMBL3225354

SCHEMBL3225354

COc1cc(N2CCC(O)(CCn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.63
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL2875387 0.79 CCR1 (0.77) CCR1CYP2C19KCNH2
SCHEMBL3223278 0.78 CCR1 (0.68) CCR1CYP2C19KCNH2
SCHEMBL3219163 0.78 CCR1 (0.82) CCR1CYP2C19KCNH2
SCHEMBL3230456 0.77 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL3215847 0.76 CCR1 (0.39) CCR1CYP2C19
SCHEMBL3227864 0.76 CCR1 (0.85) CCR1CYP2C19KCNH2
SCHEMBL3226102 0.75 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL3212191 0.74 CCR1 (0.40) CCR1CYP2C19
SCHEMBL3222760 0.74 CCR1 (0.80) CCR1CYP2C19KCNH2
SCHEMBL15190314 0.73 CCR1 (0.74) CCR1CYP2C19KCNH2

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
EP-2084146-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-21 EP claimed
US-8354432-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US claimed
US-20230416693-A1 IMPROVED WASHING METHODS FOR AFFINITY CHROMATOGRAPHY SARTORIUS BIA SEPARATIONS D.O.O. (SI) 2023-12-28 US disclosed
US-11795113-B2 Cubic boron nitride sintered material SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2023-10-24 US disclosed
EP-4251756-A1 IMPROVED WASHING METHODS FOR AFFINITY CHROMATOGRAPHY Sartorius BIA Separations d.o.o. (SI) 2023-10-04 EP disclosed
EP-4242334-A1 CUBIC BORON NITRIDE SINTERED BODY SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2023-09-13 EP disclosed
US-11667569-B2 Composition containing a semi-ordered calcium silicate hydrate BASF SE 2023-06-06 US disclosed
US-20230027098-A1 CUBIC BORON NITRIDE SINTERED MATERIAL SUMITOMO ELECTRIC HARDMETAL CORP. (JP) 2023-01-26 US disclosed
WO-2022112333-A1 IMPROVED WASHING METHODS FOR AFFINITY CHROMATOGRAPHY BIA SEPARATIONS D.O.O. (SI) 2022-06-02 WO disclosed
US-20220153651-A1 CUBIC BORON NITRIDE SINTERED MATERIAL SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2022-05-19 US disclosed
US-10927224-B2 Process for modifying polymer particles of an aqueous polymer dispersion, an aqueous polymer dispersion obtainable by said process, a redispersible polymer powder, and a composition comprising the redispersible polymer powder BASF SE 2021-02-23 US disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100062953-A1 RHEOLOGY MODIFYING AGENTS AND METHODS OF MODIFYING FLUID RHEOLOGY USE IN HYDROCARBON RECOVERY NORTHAVEN ENERGY SYSTEMS LLC 2010-03-11 US disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20090062158-A1 RHEOLOGY MODIFYING AGENTS AND METHODS OF MODIFYING FLUID RHEOLOGY USE IN HYDROCARBON RECOVERY NORTHHAVEN ENERGY SYSTEMS LLC 2009-03-05 US disclosed
WO-2009029694-A1 RHEOLOGY MODIFYING AGENTS AND METHODS OF MODIFYING FLUID RHEOLOGY USE IN HYDROCARBON RECOVERY LOSASSO JANICE (US) 2009-03-05 WO disclosed
WO-2008042925-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 WO disclosed
WO-2005123581-A1 ULTRALYOPHOBE INTERFACES UNIVERSITY OF FLORIDA RESEARCH (US) 2005-12-29 WO disclosed
US-20050276962-A1 acoustical layer, prior to curing, comprises interlocking matrix of set gypsum, paper fiber, polystyrene lightweight expanded aggregate, binder, foaming agent, activator, water reducing agent and enhancing material(ammonium polyphosphate) UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-12-15 US 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 (1 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-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CCR1, ACKR3 CCR1 2/4885CYP2C19 1554/4885KCNH2 3218/4885

“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.