SCHEMBL5621873

SCHEMBL5621873

C=CCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.53
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
CCR5 P51681 4/20 0.47
SCD5 Q86SK9 1/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
USP30 Q70CQ3 2/20 0.44
RORC P51449 2/20 0.44
DGAT2 Q96PD7 1/20 0.43
HSD11B1 P28845 1/20 0.43
CYP11B2 P19099 1/20 0.43
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL3277361 0.89 TACR1 (0.53) TACR1OPRD1OPRK1CCR5SCD5
SCHEMBL1207178 0.84 TACR1 (0.55) TACR1OPRD1OPRK1CCR5SCD5
SCHEMBL31327719 0.84 TACR1 (0.55) TACR1OPRD1OPRK1CCR5SCD5
SCHEMBL7000547 0.83 TACR1 (0.54) TACR1OPRD1OPRK1CCR5SCD5
SCHEMBL3272198 0.82 TACR1 (0.58) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL1206023 0.81 TACR1 (0.53) TACR1OPRD1OPRK1CCR5SCD5
SCHEMBL2270783 0.80 TACR1 (0.61) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL19226428 0.79 TACR1 (0.60) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL557992 0.79 TACR1 (0.60) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL17886658 0.79 TACR1 (0.63) TACR1OPRD1OPRK1CCR5TSHR

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-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20050239815-A1 Tyrosine kinase inhibitors KIM ANNETTE J 2005-10-27 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 (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-20070173525-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 TACR1 274/4885OPRD1 1749/4885OPRK1 600/4885
US-20050239815-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 TACR1 274/4885OPRD1 1749/4885OPRK1 600/4885

“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.