SCHEMBL3131124

SCHEMBL3131124

CN1CCC(=C2c3ccccc3COc3ccc(CC(=O)O)cc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.57
LMNA P02545 1/20 0.54
AKR1B1 P15121 1/20 0.54
TBXA2R P21731 4/20 0.51
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
SETD7 Q8WTS6 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
Hydrochloric Acid SCHEMBL3131131 0.90 AKR1B1 (0.61) HRH1LMNAAKR1B1TBXA2RADRA1D
Hydrochloric Acid SCHEMBL3139244 0.89 KCNH2 (0.46) HRH1LMNASETD7KCNH2
SCHEMBL3138427 0.86 KCNH2 (0.46) HRH1SETD7KCNH2
SCHEMBL3132968 0.84 KCNH2 (0.43) HRH1LMNASETD7KCNH2
SCHEMBL3132978 0.84 KCNH2 (0.43) HRH1LMNASETD7KCNH2
SCHEMBL3137250 0.84 SETD7 (0.45) HRH1SETD7KCNH2
SCHEMBL3034913 0.84 CYP2D6 (0.48) HRH1LMNAAKR1B1TBXA2RADRA1D
SCHEMBL3138558 0.84 ALDH1A1 (0.46) LMNASETD7KCNH2
Hydrochloric Acid SCHEMBL3036924 0.83 CYP2D6 (0.48) HRH1LMNAAKR1B1TBXA2RADRA1D
Hydrochloric Acid SCHEMBL3137251 0.83 SETD7 (0.51) HRH1LMNATBXA2RADRA1DADRA1A

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-2067777-B1 OXEPIN DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
US-8222419-B2 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-20100004456-A1 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2067777-A1 OXEPIN DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-06-10 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-20100004456-A1 Oxepin derivative HRH4, HRH3, HCRTR2 HRH1 7/4885LMNA 4838/4885AKR1B1 1325/4885

“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.