SCHEMBL9995283

SCHEMBL9995283

Fc1ccc2c(C3CCN(CCCCn4cnc5ccc(F)cc54)CC3)noc2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.64
DRD2 P14416 7/20 0.63
SLC6A4 P31645 1/20 0.63
HTR2A P28223 6/20 0.59
HTR1A P08908 5/20 0.57
HRH3 Q9Y5N1 5/20 0.57
HTR2C P28335 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
DRD3 P35462 2/20 0.57
HTR6 P50406 2/20 0.57
KCNH2 Q12809 2/20 0.57

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
SCHEMBL9995113 0.98 ACHE (0.64) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL9995262 0.93 ACHE (0.62) ACHEDRD2SLC6A4HTR2AKCNH2
SCHEMBL9995240 0.91 ACHE (0.56) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL9994998 0.91 ACHE (0.62) ACHEDRD2SLC6A4HTR2AKCNH2
SCHEMBL1836420 0.84 ACHE (0.75) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL9995021 0.83 ACHE (0.66) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL3122834 0.82 ACHE (0.77) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL1545611 0.82 ACHE (0.93) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL9995295 0.82 ACHE (0.66) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL1545556 0.81 ACHE (0.75) ACHEDRD2SLC6A4HTR2AHTR1A

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 ACHE 285/4885DRD2 75/4885SLC6A4 17/4885

“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.