SCHEMBL9995196

SCHEMBL9995196

COC(=O)c1ccc2ccn(CCCCl)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
POLB P06746 1/20 0.59
APOBEC3A P31941 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
MCL1 Q07820 10/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL3352536 0.88 KDM4E (0.60) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL2808277 0.87 ALDH1A1 (0.59) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL27951540 0.86 ALDH1A1 (0.58) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL1608276 0.85 ALDH1A1 (0.63) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL6950225 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL30443846 0.85 ALDH1A1 (0.63) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL231472 0.84 ALDH1A1 (0.62) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL1809364 0.84 ALDH1A1 (0.62) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL30444449 0.83 ALDH1A1 (0.64) KDM4EALDH1A1HPGDPOLBAPOBEC3A
SCHEMBL232469 0.82 KDM4E (0.66) KDM4EALDH1A1HPGDPOLBAPOBEC3A

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 KDM4E 1382/4885ALDH1A1 442/4885HPGD 1830/4885

“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.