SCHEMBL1347598

SCHEMBL1347598

CC(C)(C)[C@H]1CC[C@H](NCc2ccc(-c3cccc(C(N)=O)c3)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
FAAH O00519 5/20 0.43
KLKB1 P03952 1/20 0.42
KCNH2 Q12809 1/20 0.41
WDR5 P61964 3/20 0.40
LIPG Q9Y5X9 1/20 0.40
PRKD1 Q15139 1/20 0.40
ENPP2 Q13822 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SHMT1 P34896 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL1347855 1.00 TMEM97 (0.44) TMEM97SIGMAR1FAAHKLKB1KCNH2
SCHEMBL1347596 1.00 TMEM97 (0.44) TMEM97SIGMAR1FAAHKLKB1KCNH2
SCHEMBL1347643 0.89 SHMT1 (0.41) TMEM97SIGMAR1FAAHKCNH2PRKD1
SCHEMBL1347866 0.86 OPRM1 (0.49) TMEM97SIGMAR1FAAHKLKB1KCNH2
Trifluoroacetic Acid SCHEMBL3341377 0.83 OPRM1 (0.45) TMEM97SIGMAR1FAAHKLKB1KCNH2
SCHEMBL1347367 0.81 KDM1A (0.47) PRKD1ENPP2KDM1AMAOAMAOB
SCHEMBL1346050 0.81 KDM1A (0.47) PRKD1ENPP2KDM1AMAOAMAOB
SCHEMBL1346051 0.81 KDM1A (0.47) PRKD1ENPP2KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL16194743 0.77 OPRM1 (0.48) TMEM97SIGMAR1FAAHKLKB1KCNH2
SCHEMBL6827858 0.77 HDAC1 (0.49) ENPP2KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 TMEM97 246/4885SIGMAR1 8/4885FAAH 224/4885

“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.