SCHEMBL3137250

SCHEMBL3137250

CC(=O)NCc1ccc2c(c1)C(=C1CCN(C)CC1)c1ccccc1CO2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.45
KCNH2 Q12809 1/20 0.44
PTAFR P25105 1/20 0.43
DRD2 P14416 3/20 0.42
HTR2C P28335 2/20 0.42
HRH1 P35367 2/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3138427 0.92 KCNH2 (0.46) SETD7KCNH2HRH1POLBMAPT
SCHEMBL3138558 0.89 ALDH1A1 (0.46) SETD7KCNH2POLBMAPTTHRB
SCHEMBL3132968 0.88 KCNH2 (0.43) SETD7KCNH2HRH1POLBTHRB
SCHEMBL3132978 0.88 KCNH2 (0.43) SETD7KCNH2HRH1POLBTHRB
SCHEMBL3131124 0.84 HRH1 (0.57) SETD7KCNH2HRH1
SCHEMBL3139075 0.84 HPGD (0.46) SETD7KCNH2HRH1POLBMAPT
SCHEMBL3147395 0.82 NPC1 (0.48) SETD7KCNH2PTAFRHTR2CMAPT
Hydrochloric Acid SCHEMBL3139244 0.82 KCNH2 (0.46) SETD7KCNH2HRH1
Hydrochloric Acid SCHEMBL3137251 0.81 SETD7 (0.51) SETD7KCNH2DRD2HTR2CHRH1
SCHEMBL3131638 0.78 SETD7 (0.51) SETD7KCNH2HRH1

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 SETD7 2087/4885KCNH2 1909/4885PTAFR 671/4885

“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.