SCHEMBL3694376

SCHEMBL3694376

CCOC(=O)N1CCC(=C2c3ccccc3CCc3sccc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 7/20 0.65
▸ LMNA P02545 5/20 0.65
▸ CHRM2 P08172 4/20 0.65
▸ HTR2A P28223 4/20 0.65
▸ OPRK1 P41145 3/20 0.65
▸ HTR2B P41595 3/20 0.65
▸ KCNH2 Q12809 3/20 0.65
▸ ADRA2A P08913 3/20 0.65
▸ CHRM1 P11229 3/20 0.65
▸ ADRA2B P18089 3/20 0.65
▸ DRD1 P21728 3/20 0.65
▸ HTR2C P28335 3/20 0.65
▸ DRD3 P35462 3/20 0.65
▸ HTR3A P46098 3/20 0.65
▸ SLC6A3 Q01959 2/20 0.65
▸ ADRA2C P18825 2/20 0.65
▸ CNR1 P21554 2/20 0.65
▸ ADRA1D P25100 2/20 0.65
▸ ADRA1A P35348 2/20 0.65
▸ DRD2 P14416 2/20 0.65

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
SCHEMBL9850494 0.89 HRH1 (0.76) HRH1LMNACHRM2HTR2AOPRK1
SCHEMBL3040909 0.85 HRH1 (0.59) HRH1LMNACHRM2HTR2AOPRK1
SCHEMBL25685848 0.83 HRH1 (0.69) HRH1LMNACHRM2HTR2AOPRK1
SCHEMBL3042922 0.82 HRH1 (0.58) HRH1LMNACHRM2HTR2AOPRK1
SCHEMBL14693597 0.82 HRH1 (0.58) HRH1LMNACHRM2HTR2AOPRK1
SCHEMBL3704516 0.82 HRH1 (0.58) HRH1LMNACHRM2HTR2AOPRK1
SCHEMBL9631337 0.80 HRH1 (0.62) HRH1LMNACHRM2HTR2AOPRK1
Pizotyline SCHEMBL8771138 0.79 DRD1 (1.00) HRH1LMNACHRM2HTR2AOPRK1
Pizotyline SCHEMBL29366884 0.79 DRD1 (1.00) HRH1LMNACHRM2HTR2AOPRK1
Pizotyline SCHEMBL44122 0.79 DRD1 (1.00) HRH1LMNACHRM2HTR2AOPRK1

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
EP-2460803-B1 METHOD FOR PRODUCING THIABENZOAZULENE PROPIONIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2016-01-13 — — EP disclosed
US-8536342-B2 Process for producing thiabenzoazulene-propionic acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-09-17 — — US disclosed
EP-2460803-A1 METHOD FOR PRODUCING THIABENZOAZULENE PROPIONIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2012-06-06 — — EP disclosed
US-20120123127-A1 PROCESS FOR PRODUCING THIABENZOAZULENE-PROPIONIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 — — US 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-20120123127-A1 PROCESS FOR PRODUCING THIABENZOAZULENE-PROPIONIC ACID DERIVATIVE HRH4, HRH2, HRH1 HRH1 3/4885LMNA 4056/4885CHRM2 36/4885

“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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