SCHEMBL6044381

SCHEMBL6044381

[CH2]CN1C(=O)CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 2/20 0.42
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
LMNA P02545 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PIK3CD O00329 1/20 0.32
TSHR P16473 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA1B P35368 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1098651 0.88
SCHEMBL7228117 0.79 KMT2A (0.48) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL8282999 0.72 KMT2A (0.42) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL7279979 0.72 KMT2A (0.42) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL10799321 0.72 KMT2A (0.42) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL719466 0.72 F2 (0.48) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL9344572 0.72 KMT2A (0.42) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL723082 0.72 POLB (0.43) KMT2AMEN1POLBLMNACYP1A2
SCHEMBL10966655 0.70 TSHR (0.35) TSHR
SCHEMBL510427 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263492-B1 RETINOIDS, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP claimed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed
EP-0263492-B1 RETINOIDS, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed
US-4900478-A SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-02-13 US disclosed
EP-0263492-A1 Retinoids, their preparation and use as pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 1988-04-13 EP disclosed
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 KMT2A 2309/4885MEN1 1992/4885POLB 3076/4885

“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.