SCHEMBL9995332

SCHEMBL9995332

ClCCCCn1ccc2ccc(Cl)cc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.59
HTR7 P34969 2/20 0.51
ACLY P53396 1/20 0.49
MCL1 Q07820 6/20 0.49
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
FFAR1 O14842 1/20 0.45
PPARG P37231 1/20 0.45
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
OXER1 Q8TDS5 1/20 0.41
PRMT5 O14744 1/20 0.40

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
SCHEMBL8430623 0.83 KMO (0.59) KMOHTR7ACLYMCL1CDK4
SCHEMBL9994959 0.82 P2RX7 (0.53) KMOHTR7MCL1CDK4CCND1
SCHEMBL13668162 0.80 KMO (0.56) KMOHTR7ACLYMCL1CDK4
SCHEMBL8430621 0.79 KMO (0.62) KMOHTR7ACLYMCL1CDK4
SCHEMBL9995116 0.78 ALDH1A1 (0.45) KMOHTR7MCL1CDK4CCND1
SCHEMBL5661674 0.77 CDK4 (0.81) CDK4CCND1
SCHEMBL6549435 0.77 ACLY (0.55) KMOHTR7ACLYMCL1CDK4
SCHEMBL5635097 0.77 HTR2C (0.53) KMOHTR7MCL1CDK4CCND1
SCHEMBL12857017 0.77 CDK4 (0.44) KMOMCL1CDK4CCND1HDAC6
SCHEMBL1121929 0.76 HTR7 (0.55) KMOHTR7MCL1CDK4CCND1

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 3 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 disclosed
CN-101759693-B Benzo-isoxazol piperidine derivative and application in preparing analgesic and sedative medicaments JIANGSU ENHUA PHARMACEUTICAL CO LTD 2011-09-14 CN disclosed
CN-101759693-A Benzo-isoxazol piperidine derivative and application in preparing analgesic and sedative medicaments NHWA PHARMACEUTICAL GROUP CO L 2010-06-30 CN 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 KMO 620/4885HTR7 9/4885ACLY 2150/4885

“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.