SCHEMBL843741

SCHEMBL843741

N#CC[C@H]1CCN(CCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.59
ACHE P22303 1/20 0.53
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CTSC P53634 1/20 0.50
DRD2 P14416 2/20 0.49
DRD3 P35462 1/20 0.49
HTR2A P28223 2/20 0.49
SIGMAR1 Q99720 2/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48

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
SCHEMBL6167466 1.00 CCR3 (0.59) CCR3ACHECTSLCTSBCTSS
SCHEMBL27519610 0.91 CCR3 (0.67) CCR3ACHEDRD2HTR2ASIGMAR1
SCHEMBL5968984 0.85 CCR3 (0.57) CCR3ACHEDRD2HTR2ASIGMAR1
SCHEMBL5968982 0.85 CCR3 (0.57) CCR3ACHEDRD2HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL9136156 0.84 CCR3 (0.55) CCR3ACHE
SCHEMBL843343 0.80 CCR3 (0.64) CCR3ACHEHTR2AHTR2C
SCHEMBL843329 0.80 CCR3 (0.64) CCR3ACHESIGMAR1CARM1PRMT6
SCHEMBL5069409 0.80 CCR3 (0.64) CCR3ACHEHTR2AHTR2C
SCHEMBL7465330 0.80 CCR3 (0.64) CCR3ACHEHTR2AHTR2C
SCHEMBL11023730 0.80 CCR3 (0.64) CCR3ACHESIGMAR1CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 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 (9 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-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 CCR3 1550/4885ACHE 2625/4885CTSL 3951/4885
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE CCR3 2701/4885ACHE 20/4885CTSL 714/4885
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CCR3 1147/4885ACHE 393/4885CTSL 3462/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 CCR3 1199/4885ACHE 2471/4885CTSL 3609/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG CCR3 1116/4885ACHE 76/4885CTSL 2459/4885
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease CYP1B1, ABCB1, NAT1 CCR3 780/4885ACHE 2696/4885CTSL 3481/4885
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 CCR3 1217/4885ACHE 2730/4885CTSL 2384/4885
US-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CCR3 1929/4885ACHE 3550/4885CTSL 2684/4885
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 CCR3 1976/4885ACHE 687/4885CTSL 2104/4885

“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.