SCHEMBL4121734

SCHEMBL4121734

CN(C)Cc1c(OCc2ccccc2C#N)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.38
CSF1R P07333 2/20 0.36
ACHE P22303 1/20 0.36
KDR P35968 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 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
SCHEMBL4121012 0.93 GPR119 (0.39) GPR119CSF1RACHEKDRKDM4E
SCHEMBL4122375 0.91 ACHE (0.40) ACHETRPM8
Dimethylamine SCHEMBL4121737 0.89 GPR119 (0.39) GPR119CSF1RACHEKDRKDM4E
SCHEMBL4119917 0.88 ACHE (0.45) GPR119CSF1RACHEKDRKDM4E
SCHEMBL4122307 0.87 GPR119 (0.43) GPR119ACHE
SCHEMBL4127818 0.86 GPR119 (0.38) GPR119CSF1RACHEKDR
SCHEMBL4129872 0.86 ACHE (0.41) GPR119CSF1RACHETRPM8
SCHEMBL4120746 0.86 GPR119 (0.39) GPR119
SCHEMBL4126281 0.86 CSF1R (0.42) GPR119CSF1RACHE
SCHEMBL4122124 0.85 GPR119 (0.40) GPR119CSF1RACHEKDRKDM4E

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
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

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 GPR119 122/4885CSF1R 628/4885ACHE 3716/4885

“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.