SCHEMBL3686869

SCHEMBL3686869

Fc1cccc(C2=CCNC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.44
NISCH Q9Y2I1 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ESR2 Q92731 1/20 0.40
IDO1 P14902 2/20 0.39
HTR7 P34969 3/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
KHK P50053 1/20 0.37
IKBKB O14920 1/20 0.37
FGFR1 P11362 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL4789465 0.82 HTR2C (0.66) HTR2CSIGMAR1HTR7KHKHTR2A
SCHEMBL9311684 0.82 ADRA2A (0.54) HTR2CNISCHTAAR1ESR2HTR7
Hydrochloric Acid SCHEMBL9532611 0.81 HTR2C (0.67) HTR2CSIGMAR1HTR7KHKHTR2A
SCHEMBL22677495 0.78 HTR2C (0.44) HTR2CSIGMAR1IDO1CHRNB4CHRNA3
SCHEMBL10354111 0.78 HSD17B1 (0.47) HTR2CSIGMAR1ESR2
SCHEMBL10354136 0.77 HTR2C (0.72) HTR2CSIGMAR1IDO1IKBKBHTR1D
Hydrochloric Acid SCHEMBL11019773 0.76 PIK3CD (0.46) HTR2CSIGMAR1ESR2
SCHEMBL3689759 0.76 HTR2C (0.42) HTR2CSIGMAR1HTR7KHKHTR1A
SCHEMBL2173351 0.76 SIGMAR1 (0.65) HTR2CSIGMAR1HTR7HTR2AHTR6
Hydrochloric Acid SCHEMBL3547223 0.75 HTR2C (0.44) HTR2CSIGMAR1HTR7KHKHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
CN-101842098-A Nitrogen-containing bicyclic chemical entities for the treatment of viral infections GENELABS TECH INC 2010-09-22 CN disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 HTR2C 1993/4885NISCH 102/4885TAAR1 2399/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HTR2C 1993/4885NISCH 102/4885TAAR1 2399/4885

“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.