SCHEMBL16600042

SCHEMBL16600042

COc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)C#Cc2ccc(F)cc2)C3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 14/20 1.00
GRM3 Q14832 1/20 0.59
CYP3A4 P08684 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL16599923 0.96 GPR183 (1.00) GPR183GRM3CYP3A4USP2TSHR
SCHEMBL16599878 0.91 GPR183 (1.00) GPR183
SCHEMBL16600181 0.90 GPR183 (0.81) GPR183GRM3CYP3A4USP2TSHR
SCHEMBL16600078 0.87 GPR183 (1.00) GPR183
SCHEMBL16599932 0.86 GPR183 (1.00) GPR183CYP3A4USP2TSHRCYP2D6
SCHEMBL16599826 0.86 GPR183 (1.00) GPR183
SCHEMBL16600166 0.86 GPR183 (0.92) GPR183
SCHEMBL16600134 0.86 GPR183 (1.00) GPR183
SCHEMBL16599836 0.85 GPR183 (0.83) GPR183GRM3CYP3A4USP2TSHR
SCHEMBL16600533 0.84 GPR183 (0.85) GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196369-B2 Spirocyclic EBI2 modulators Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-05 US claimed
US-10196369-B2 Spirocyclic EBI2 modulators Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-05 US disclosed
US-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS Sanford Burnham Prebys Medical Discovery Institute 2016-06-23 US disclosed
WO-2015048567-A1 SPIROCYCLIC EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 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-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS HAVCR2, BIRC2, ESR2 GPR183 17/4885GRM3 648/4885CYP3A4 4233/4885
US-10196369-B2 Spirocyclic EBI2 modulators HAVCR2, BIRC2, ESR2 GPR183 17/4885GRM3 648/4885CYP3A4 4233/4885

“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.