SCHEMBL17938696

SCHEMBL17938696

O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.64
PRKAB2 O43741 2/20 0.55
PRKAG1 P54619 2/20 0.55
PRKAA2 P54646 2/20 0.55
PRKAA1 Q13131 2/20 0.55
PRKAG3 Q9UGI9 2/20 0.55
PRKAG2 Q9UGJ0 2/20 0.55
PRKAB1 Q9Y478 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
FAAH O00519 1/20 0.51

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
SCHEMBL17938743 0.92 GPR183 (0.67) GPR183
SCHEMBL17938730 0.90 GPR183 (0.63) GPR183PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17938679 0.87 GPR183 (0.76) GPR183
SCHEMBL16614498 0.86 GPR183 (0.61) GPR183L3MBTL1
SCHEMBL17938757 0.86 GPR183 (0.61) GPR183PRKAA2
SCHEMBL17938697 0.82 GPR183 (0.63) GPR183PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17938706 0.82 GPR183 (0.63) GPR183PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16598472 0.81 GPR183 (0.59) GPR183
SCHEMBL17938766 0.80 GPR183 (0.73) GPR183SIGMAR1FAAH
SCHEMBL17938710 0.79 GPR183 (0.62) GPR183FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS GPR183 22/4885PRKAB2 864/4885PRKAG1 585/4885

“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.