SCHEMBL4113350

SCHEMBL4113350

CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(Cc4c[nH]c5ccc(F)cc45)CC3)noc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
MPO P05164 3/20 0.41
HTR1A P08908 1/20 0.38
SOS1 Q07889 1/20 0.36
BCHE P06276 2/20 0.36
S1PR1 P21453 2/20 0.36
DRD4 P21917 1/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
PDE2A O00408 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 SCHEMBL4126718 0.99 ACHE (0.41) ACHEMPOHTR1ASOS1BCHE
SCHEMBL4414038 0.91 ACHE (0.41) ACHEMPOHTR1ASOS1BCHE
SCHEMBL4120690 0.90 ACHE (0.47) ACHEBCHEDRD4
Hydrochloric Acid SCHEMBL4135871 0.89 ACHE (0.46) ACHEBCHEDRD4
SCHEMBL4125624 0.84 ACHE (0.52) ACHEBCHE
Hydrochloric Acid SCHEMBL4125004 0.83 ACHE (0.51) ACHEBCHE
SCHEMBL4126576 0.83 ACHE (0.45) ACHEBCHE
Hydrochloric Acid SCHEMBL4112160 0.82 ACHE (0.44) ACHEBCHE
SCHEMBL4124771 0.82 ACHE (0.46) ACHEBCHE
SCHEMBL4113343 0.82 ACHE (0.56) 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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US claimed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP claimed
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 ACHE 3716/4885MPO 2862/4885HTR1A 422/4885

“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.