SCHEMBL20187194

SCHEMBL20187194

ON=C1CC2CCCCCCCCCCCC(CCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL854108 0.90 TSHR (0.36) TSHRCASP1
SCHEMBL15853790 0.75 OGFRL1 (0.39)
SCHEMBL17414059 0.75 OGFRL1 (0.39)
SCHEMBL15466771 0.75 OGFRL1 (0.39)
SCHEMBL15466770 0.75 OGFRL1 (0.39)
SCHEMBL11203765 0.74 TSHR (0.39) TSHRCASP1
SCHEMBL11198362 0.74 TSHR (0.39) TSHRCASP1
SCHEMBL11203763 0.74 TSHR (0.39) TSHRCASP1
SCHEMBL15858210 0.72 OGFRL1 (0.39)
SCHEMBL852148 0.72 OGFRL1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-07-16 US disclosed
US-20180370971-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-12-27 US disclosed
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-05-31 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 (3 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-20180370971-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR TSHR 4805/4885CASP1 751/4885GAA 2934/4885
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, OPRK1, QDPR TSHR 4805/4885CASP1 751/4885GAA 2934/4885
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR TSHR 4805/4885CASP1 751/4885GAA 2934/4885

“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.