SCHEMBL9995246

SCHEMBL9995246

N#Cc1ccc2ccn(CCCCN3CCC(c4noc5cc(F)ccc45)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
HTR2A P28223 3/20 0.58
ACHE P22303 2/20 0.57
SLC6A4 P31645 1/20 0.56
HTR1A P08908 1/20 0.54
HTR6 P50406 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL9995251 0.98 DRD2 (0.58) DRD2HTR2AACHESLC6A4HTR1A
SCHEMBL9995021 0.91 ACHE (0.66) DRD2HTR2AACHESLC6A4HTR1A
SCHEMBL9995295 0.89 ACHE (0.66) DRD2HTR2AACHESLC6A4HTR1A
SCHEMBL9994942 0.89 DRD2 (0.51) DRD2HTR2AHTR1AKCNH2
SCHEMBL9994937 0.87 DRD2 (0.63) DRD2HTR2AACHESLC6A4HTR1A
SCHEMBL9995258 0.87 HTR6 (0.57) DRD2HTR2AACHEHTR1AHTR6
SCHEMBL9995324 0.86 DRD2 (0.63) DRD2HTR2AACHESLC6A4HTR1A
SCHEMBL9995276 0.86 ACHE (0.56) DRD2HTR2AACHESLC6A4HTR1A
SCHEMBL9995240 0.86 ACHE (0.56) DRD2HTR2AACHESLC6A4HTR1A
SCHEMBL9995263 0.85 DRD2 (0.62) DRD2HTR2AACHESLC6A4HTR1A

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-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE NHWA PHARMA. CORPORATION (CN) 2011-12-15 US claimed
US-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE NHWA PHARMA. CORPORATION (CN) 2011-12-15 US disclosed
US-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE NHWA PHARMA. CORPORATION (CN) 2011-12-15 US disclosed
US-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE NHWA PHARMA. CORPORATION (CN) 2011-12-15 US 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-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE HTR2A, HTR2C, HTR5A DRD2 75/4885HTR2A 1/4885ACHE 285/4885

“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.