SCHEMBL14904456

SCHEMBL14904456

CCC1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.56
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
GPR119 Q8TDV5 3/20 0.46
STS P08842 1/20 0.46
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
YAP1 P46937 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
DTYMK P23919 1/20 0.42

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
SCHEMBL1981994 0.91 TACR1 (0.56) TACR1OPRD1OPRK1GPR119STS
SCHEMBL5767042 0.91 TACR1 (0.56) TACR1OPRD1OPRK1GPR119STS
SCHEMBL28341538 0.87 TACR1 (0.51) TACR1OPRD1OPRK1GPR119STS
SCHEMBL16987034 0.87 TACR1 (0.53) TACR1OPRD1OPRK1GPR119STS
SCHEMBL28341539 0.87 TACR1 (0.51) TACR1OPRD1OPRK1GPR119STS
SCHEMBL23849198 0.86 OPRD1 (0.51) TACR1OPRD1OPRK1GPR119STS
SCHEMBL21214445 0.86 TACR1 (0.52) TACR1OPRD1OPRK1STS
SCHEMBL28344051 0.86 TACR1 (0.52) TACR1OPRD1OPRK1GPR119STS
SCHEMBL28344050 0.86 TACR1 (0.52) TACR1OPRD1OPRK1GPR119STS
SCHEMBL1980853 0.85 TACR1 (0.52) TACR1OPRD1OPRK1GPR119STS

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-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 TACR1 3221/4885OPRD1 1015/4885OPRK1 114/4885

“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.