SCHEMBL20573221

SCHEMBL20573221

CCOC(=O)CCCN1CCc2cccc(C#CCCc3ccccc3)c2CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.51
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KCNA3 P22001 1/20 0.43
GRIN2B Q13224 1/20 0.41
ALOX5 P09917 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL20573749 0.82 S1PR5 (0.58) S1PR5TMEM97SIGMAR1KCNA3GRIN2B
SCHEMBL20573444 0.77 S1PR5 (0.52) S1PR5TMEM97SIGMAR1NOTUM
SCHEMBL20573384 0.76 S1PR5 (0.82) S1PR5TMEM97SIGMAR1KCNA3ALOX5
SCHEMBL20573388 0.75 S1PR5 (0.58) S1PR5TMEM97SIGMAR1NOTUM
SCHEMBL20573750 0.71 S1PR5 (0.53) S1PR5TMEM97SIGMAR1
SCHEMBL6604229 0.71 CACNA1G (0.54) SIGMAR1
SCHEMBL29332485 0.68 S1PR5 (0.60) S1PR5SIGMAR1GRIN2B
SCHEMBL29332477 0.68 S1PR5 (0.74) S1PR5SIGMAR1GRIN2B
SCHEMBL19201119 0.68 S1PR5 (0.72) S1PR5SIGMAR1GRIN2B
SCHEMBL7423981 0.68 HTR7 (0.57) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409658-B9 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-07-17 EP disclosed
EP-3409658-B1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-03-06 EP disclosed
US-10730830-B2 Tetrahydronaphthalene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2020-08-04 US disclosed
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2019-01-31 US disclosed
EP-3409658-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2018-12-05 EP 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-10730830-B2 Tetrahydronaphthalene derivative S1PR5, S1PR1, GPR55 S1PR5 1/4885TMEM97 78/4885SIGMAR1 383/4885
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE S1PR5, S1PR1, GPR55 S1PR5 1/4885TMEM97 100/4885SIGMAR1 336/4885

“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.