SCHEMBL18091550

SCHEMBL18091550

CS(=O)(=O)OCCCN1CCCC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ OPRM1 P35372 3/20 0.38
▸ MAOB P27338 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL12685282 0.91 KDM4E (0.42) HRH3SLC6A4KDM4EUSP2ALDH1A1
SCHEMBL23291149 0.91 HRH3 (0.35) HRH3SLC6A4KDM4EUSP2ALDH1A1
SCHEMBL15884760 0.84 KDM4E (0.48) HRH3SLC6A4KDM4EUSP2ALDH1A1
SCHEMBL23291205 0.81 KDM4E (0.36) HRH3SLC6A4KDM4EUSP2ALDH1A1
SCHEMBL15885313 0.81 MMP9 (0.45) HRH3SLC6A4KDM4EUSP2ALDH1A1
SCHEMBL15884868 0.79 ALDH1A1 (0.54) HRH3KDM4EUSP2ALDH1A1LMNA
SCHEMBL6186091 0.77 KDM4E (0.52) HRH3KDM4EUSP2ALDH1A1LMNA
SCHEMBL14131261 0.74 S1PR1 (0.41) HRH3SLC6A4OPRM1
SCHEMBL29023023 0.74 OPRM1 (0.40) HRH3SLC6A4OPRM1BDKRB1
SCHEMBL12409043 0.73 HRH3 (0.38) HRH3SLC6A4KDM4EOPRM1MAOB

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-9663463-B2 3-azabicyclo[3.1.0]hexane derivative and use thereof for medical purpose SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2017-05-30 — — US disclosed
US-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-29 — — US disclosed
EP-3072884-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-28 — — 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 (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-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE OPRM1, OPRD1, OPRK1 HRH3 67/4885SLC6A4 676/4885KDM4E 2857/4885

“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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