SCHEMBL5465617

SCHEMBL5465617

N#CC1(c2cccc(OCc3ccccc3)c2)CCC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
HPD P32754 1/20 0.46
NR4A2 P43354 1/20 0.46
MAOB P27338 10/20 0.44
MAOA P21397 5/20 0.43
KMT2A Q03164 1/20 0.43
ADAM17 P78536 1/20 0.43
GRM5 P41594 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL11044387 0.86 MAOB (0.50) MAOBMAOA
SCHEMBL2296430 0.84 KMT2A (0.49) ALOX5KMT2A
SCHEMBL2288239 0.79 KMT2A (0.67) ALOX5KMT2A
SCHEMBL11074085 0.79 ALOX5 (0.56) ALOX5HPDNR4A2MAOBMAOA
SCHEMBL11069452 0.79 ALOX5 (0.53) ALOX5HPDNR4A2MAOBKMT2A
SCHEMBL11073748 0.78 ALOX5 (0.55) ALOX5HPDNR4A2MAOBMAOA
SCHEMBL5470341 0.77 ADAM17 (0.45) ALOX5NR4A2MAOBKMT2AADAM17
SCHEMBL735798 0.77 MEN1 (0.57) KMT2A
Ethylene SCHEMBL11074499 0.76 ALOX5 (0.53) ALOX5HPDNR4A2MAOBMAOA
SCHEMBL11072760 0.75 ALOX5 (0.52) ALOX5HPDMAOBKMT2AADAM17

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ALOX5 2348/4885HPD 2319/4885NR4A2 133/4885

“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.