SCHEMBL12471114

SCHEMBL12471114

CC(C)(C)C1CCC(Oc2ccc3cc(CN4CCCC(C(=O)O)CC4)ccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 7/20 0.56
▸ ENPP2 Q13822 9/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL19831707 1.00 S1PR5 (0.56) S1PR5ENPP2HRH3MEN1KMT2A
SCHEMBL16309019 1.00 S1PR5 (0.56) S1PR5ENPP2HRH3MEN1KMT2A
SCHEMBL11027934 0.96 S1PR5 (0.60) S1PR5ENPP2HRH3
SCHEMBL12471153 0.96 S1PR5 (0.60) S1PR5ENPP2HRH3
SCHEMBL11027922 0.96 S1PR5 (0.60) S1PR5ENPP2HRH3
SCHEMBL11029484 0.92 ENPP2 (0.54) S1PR5ENPP2
SCHEMBL1161516 0.92 ENPP2 (0.54) S1PR5ENPP2
SCHEMBL21154821 0.92 ENPP2 (0.54) S1PR5ENPP2
SCHEMBL1161518 0.92 ENPP2 (0.54) S1PR5ENPP2
SCHEMBL11029479 0.92 ENPP2 (0.54) S1PR5ENPP2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660010-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2022-07-27 — — EP claimed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 — — US claimed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 — — EP claimed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 — — US claimed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 — — EP claimed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 — — US claimed
US-20180369215-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2018-12-27 — — US claimed
US-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 — — US claimed
US-20180028511-A1 S1P MODULATING AGENTS BIOGEN IDEC MA 2018-02-01 — — US claimed
US-9808449-B2 S1P modulating agents BIOGEN MA INC. (US) 2017-11-07 — — US claimed
EP-3150590-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2017-04-05 — — EP claimed
US-20160263093-A1 S1P modulating agents BIOGEN MA INC. 2016-09-15 — — US claimed
EP-2672823-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2016-08-24 — — EP claimed
US-9340527-B2 S1P modulating agents BIOGEN MA INC. (US) 2016-05-17 — — US claimed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 — — US claimed
EP-2672823-A1 S1P MODULATING AGENTS Biogen Idec MA Inc. (US) 2013-12-18 — — EP claimed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 — — WO claimed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 — — US disclosed
EP-2672823-A1 S1P MODULATING AGENTS Biogen Idec MA Inc. (US) 2013-12-18 — — EP disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 — — WO 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 (8 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 S1PR5 5/4885ENPP2 38/4885HRH3 682/4885
US-20140371209-A1 S1P Modulating Agents S1PR2, S1PR1, S1PR3 S1PR5 4/4885ENPP2 74/4885HRH3 711/4885
US-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 S1PR5 4/4885ENPP2 52/4885HRH3 308/4885
US-20180028511-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 S1PR5 5/4885ENPP2 38/4885HRH3 682/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 S1PR5 4/4885ENPP2 94/4885HRH3 803/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 S1PR5 4/4885ENPP2 56/4885HRH3 309/4885
US-20180369215-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 S1PR5 5/4885ENPP2 38/4885HRH3 682/4885
US-20160263093-A1 S1P modulating agents S1PR2, S1PR1, S1PR3 S1PR5 5/4885ENPP2 38/4885HRH3 682/4885

“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.

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