SCHEMBL2765256

SCHEMBL2765256

N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.56
SIGMAR1 Q99720 2/20 0.54
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
DPP4 P27487 1/20 0.48
GBA1 P04062 1/20 0.47
ACHE P22303 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL2764614 1.00 FUCA1 (0.56) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL1574151 1.00 FUCA1 (0.56) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL4089384 0.89 FUCA1 (0.50) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL16759827 0.87 FUCA1 (0.64) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL16775256 0.87 FUCA1 (0.64) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL24893928 0.85 FUCA1 (0.46) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL19327458 0.83 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL5836807 0.83 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL7575241 0.83 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL1088536 0.83 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273765-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. 2010-10-28 US disclosed
US-20100273765-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. 2010-10-28 US disclosed
EP-2177511-A2 Process for preparing 3,6-disubstituted azabicyclo derivatives Ranbaxy Laboratories Limited (IN) 2010-04-21 EP disclosed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
US-20080319002-A1 Xanthine Derivatives a Useful as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
EP-1572648-B1 3,6-DISUBSTITUTED AZABICYCLO (3.1.0)-HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-07-09 EP disclosed
US-7342011-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2008-03-11 US disclosed
US-7342011-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2008-03-11 US disclosed
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 US disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 US disclosed
US-7232835-B2 3,6-Disubstituted azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-06-19 US disclosed
US-20060217432-A1 3,6-Disubstituted azabicyclo [3.1.0] hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-09-28 US disclosed
EP-1572648-A1 3,6-DISUBSTITUTED AZABICYCLO (3.1.0)-HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-09-14 EP disclosed
WO-2004052857-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-06-24 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-20060217432-A1 3,6-Disubstituted azabicyclo [3.1.0] hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 FUCA1 2791/4885SIGMAR1 605/4885S1PR1 184/4885
US-20100273765-A1 Rifamycin analogs and uses thereof RIF1, HDAC5, AADAC FUCA1 143/4885SIGMAR1 2370/4885S1PR1 4112/4885
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 FUCA1 2362/4885SIGMAR1 476/4885S1PR1 181/4885
US-20080319002-A1 Xanthine Derivatives a Useful as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 FUCA1 1472/4885SIGMAR1 352/4885S1PR1 344/4885

“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.