SCHEMBL10159247

SCHEMBL10159247

CC(C)=C1CCc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 11/20 0.43
HRH1 P35367 6/20 0.43
CHRM2 P08172 2/20 0.43
HTR1A P08908 2/20 0.43
CHRM1 P11229 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
ADRA1A P35348 2/20 0.43
OPRK1 P41145 2/20 0.43
HTR2B P41595 2/20 0.43
KCNH2 Q12809 2/20 0.43
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
SLC6A15 Q9H2J7 2/20 0.39
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM4 P08173 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL10044909 0.89 PTAFR (0.39) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL4095527 0.79 HRH1 (0.49) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL16841405 0.74 PTAFR (0.33) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL28964982 0.74 HRH1 (0.42) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL4912110 0.70 TSHR (0.43) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL2456241 0.69 TDP2 (0.45) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL31317931 0.69 HRH1 (0.58) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL29439737 0.69 TDP2 (0.45) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL730635 0.69 HRH1 (0.58) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL10196364 0.69 HRH1 (0.42) PTAFRHRH1CHRM2HTR1ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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 (5 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 PTAFR 1384/4885HRH1 1061/4885CHRM2 4638/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 PTAFR 3890/4885HRH1 1584/4885CHRM2 3418/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 PTAFR 1811/4885HRH1 122/4885CHRM2 3925/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 PTAFR 1778/4885HRH1 1519/4885CHRM2 4848/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 PTAFR 3890/4885HRH1 1584/4885CHRM2 3418/4885

“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.