SCHEMBL4121511

SCHEMBL4121511

CN(C)Cc1c(COc2ccc(F)cc2)ccc2c(CCC3CCN(CC4CCCO4)CC3)noc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.38
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
BCHE P06276 1/20 0.34
CHRM4 P08173 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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 SCHEMBL4127250 0.99 ACHE (0.38) ACHECCNT1CDK9HTR2AHTR2C
SCHEMBL4113276 0.85 ACHE (0.56) ACHEBCHE
Hydrochloric Acid SCHEMBL4132728 0.84 ACHE (0.55) ACHEBCHE
SCHEMBL4121614 0.83 ACHE (0.44) ACHEBCHE
SCHEMBL4131487 0.82 ACHE (0.34) ACHEBCHE
Hydrochloric Acid SCHEMBL4121088 0.82 ACHE (0.44) ACHEBCHE
SCHEMBL4112812 0.81 ACHE (0.41) ACHECCNT1CDK9BCHECHRM4
SCHEMBL13596549 0.81 GPR119 (0.44)
Hydrochloric Acid SCHEMBL4129897 0.81 ACHE (0.41) ACHECCNT1CDK9BCHECHRM4
SCHEMBL4121674 0.79 ACHE (0.42) 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 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 ACHE 3716/4885CCNT1 554/4885CDK9 1729/4885

“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.