SCHEMBL24859871

SCHEMBL24859871

COC(=O)[C@]1(COCc2ccccc2)CCCCN(C(=O)OC(C)(C)C)CCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
STS P08842 1/20 0.44
YAP1 P46937 1/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL16986959 0.91 TACR1 (0.57) TACR1STSYAP1OPRD1OPRK1
SCHEMBL24859872 0.89 TACR1 (0.52) TACR1STSYAP1OPRD1OPRK1
SCHEMBL24859870 0.88 TACR1 (0.55) TACR1STSYAP1OPRD1OPRK1
SCHEMBL20493174 0.85 TACR1 (0.52) TACR1STSYAP1OPRD1OPRK1
SCHEMBL20493175 0.85 TACR1 (0.52) TACR1STSYAP1OPRD1OPRK1
SCHEMBL14881069 0.84 TACR1 (0.44) TACR1ALDH1A1TSHR
SCHEMBL18063149 0.83 TACR1 (0.43) TACR1ALDH1A1TSHR
SCHEMBL22981606 0.82 KMT2A (0.54) TACR1KDM4EMEN1KMT2A
SCHEMBL1446835 0.81 TACR1 (0.60) TACR1STSOPRD1OPRK1GPR119
SCHEMBL1447994 0.81 TACR1 (0.55) TACR1OPRD1OPRK1ALDH1A1MEN1

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-20230159505-A1 AMINES FOR USE AS SIGMA RECEPTOR MODULATORS Ecstasy LLC 2023-05-25 US disclosed
US-11548879-B1 Polycyclics as sigma receptor modulators Ecstasy LLC (US) 2023-01-10 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-20230159505-A1 AMINES FOR USE AS SIGMA RECEPTOR MODULATORS SIGMAR1, OPRM1, OPRK1 TACR1 11/4885STS 1477/4885YAP1 2064/4885
US-11548879-B1 Polycyclics as sigma receptor modulators SIGMAR1, OPRM1, OPRK1 TACR1 10/4885STS 1316/4885YAP1 2248/4885

“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.