SCHEMBL3671736

SCHEMBL3671736

CC(=O)N1CCc2oc(-c3ccc(OC4CC(N5CCCCC5)C4)cc3)nc2C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.60
▸ S1PR5 Q9H228 8/20 0.44
▸ S1PR1 P21453 3/20 0.44
▸ S1PR3 Q99500 3/20 0.40
▸ GPR6 P46095 2/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MCHR1 Q99705 2/20 0.36

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
SCHEMBL3671737 1.00 HRH3 (0.60) HRH3S1PR5S1PR1S1PR3GPR6
SCHEMBL3667304 0.80 HRH3 (0.61) HRH3S1PR5S1PR1GRM5KCNH2
SCHEMBL3667303 0.80 HRH3 (0.61) HRH3S1PR5S1PR1GRM5KCNH2
SCHEMBL3669355 0.80 HRH3 (0.49) HRH3GPR6
SCHEMBL3669354 0.80 HRH3 (0.49) HRH3GPR6
SCHEMBL3670941 0.79 S1PR5 (0.46) S1PR5S1PR1S1PR3GRM5KCNH2
SCHEMBL3664942 0.78 HRH3 (0.49) HRH3GRM5
SCHEMBL3665187 0.78 HRH3 (0.49) HRH3
SCHEMBL3665906 0.78 HRH3 (0.49) HRH3GRM5
SCHEMBL3669609 0.78 HRH3 (0.49) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US claimed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 — — EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 — — 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 (1 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 HRH3 2630/4885S1PR5 1217/4885S1PR1 1651/4885

“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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