SCHEMBL4115129

SCHEMBL4115129

CN(C)Cc1c(-c2ccccc2)ccc2c(CCC3CCN(c4ccccn4)CC3)noc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.41
BCHE P06276 2/20 0.38
GPR119 Q8TDV5 1/20 0.35

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 SCHEMBL4125297 0.99 ACHE (0.40) ACHEBCHEGPR119
SCHEMBL4119681 0.87 ACHE (0.39) ACHEBCHEGPR119
SCHEMBL4112845 0.86 ACHE (0.47) ACHEBCHE
Hydrochloric Acid SCHEMBL4121259 0.86 ACHE (0.38) ACHEBCHEGPR119
Hydrochloric Acid SCHEMBL4132979 0.86 ACHE (0.47) ACHEBCHE
SCHEMBL4127001 0.85 ACHE (0.42) ACHEBCHEGPR119
Hydrochloric Acid SCHEMBL4128169 0.85 ACHE (0.42) ACHEBCHEGPR119
SCHEMBL4121160 0.84 ACHE (0.43) ACHEBCHE
SCHEMBL4114012 0.83 ACHE (0.60) ACHEBCHE
Hydrochloric Acid SCHEMBL4119829 0.82 ACHE (0.59) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ACHE 3716/4885BCHE 2215/4885GPR119 122/4885

“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.