SCHEMBL12471111

SCHEMBL12471111

CC(C)(C)[C@H]1CC[C@H](Oc2ccc3cc(C(=O)N4CCC(C(=O)O)CC4)ccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.56
▸ GAA P10253 1/20 0.54
▸ S1PR5 Q9H228 4/20 0.48
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ BCL9 O00512 2/20 0.44
▸ CTNNB1 P35222 2/20 0.44

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
SCHEMBL12471106 1.00 HRH3 (0.56) HRH3GAAS1PR5PRSS1PRSS2
SCHEMBL12471398 0.90 HRH3 (0.57) HRH3GAANPC1RAB9A
SCHEMBL12471396 0.90 HRH3 (0.57) HRH3GAANPC1RAB9A
SCHEMBL17997522 0.88 HRH3 (0.58) HRH3NPC1RAB9ABCL9CTNNB1
SCHEMBL29700588 0.88 HRH3 (0.67) HRH3
SCHEMBL11942498 0.82 HRH3 (0.50) HRH3
SCHEMBL18532923 0.81 KDM4E (0.51) HRH3MAPT
SCHEMBL17739185 0.81 KDM4E (0.51) HRH3MAPT
SCHEMBL12471153 0.80 S1PR5 (0.60) HRH3S1PR5
SCHEMBL11027934 0.80 S1PR5 (0.60) HRH3S1PR5

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 48 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 HRH3 682/4885GAA 4680/4885S1PR5 5/4885
US-20140371209-A1 S1P Modulating Agents S1PR2, S1PR1, S1PR3 HRH3 711/4885GAA 4589/4885S1PR5 4/4885
US-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 HRH3 308/4885GAA 4016/4885S1PR5 4/4885
US-20180028511-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 HRH3 682/4885GAA 4680/4885S1PR5 5/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 HRH3 803/4885GAA 4153/4885S1PR5 4/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 HRH3 309/4885GAA 4018/4885S1PR5 4/4885
US-20180369215-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 HRH3 682/4885GAA 4680/4885S1PR5 5/4885
US-20160263093-A1 S1P modulating agents S1PR2, S1PR1, S1PR3 HRH3 682/4885GAA 4680/4885S1PR5 5/4885

“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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