SCHEMBL4793589

SCHEMBL4793589

C=CC(N1CCCCC1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ APAF1 O14727 1/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ GAA P10253 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37

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
SCHEMBL4552738 0.84 MEN1 (0.40) ALDH1A1HTTCASP3TSHRKMT2A
SCHEMBL3243123 0.75 ALDH1A1 (0.58) ALDH1A1HTTHPGDHSD17B10MAPT
SCHEMBL11667903 0.73 KDM4E (0.40) ALDH1A1HTTHPGDHSD17B10MAPT
SCHEMBL11784496 0.72 BCHE (0.43) ALDH1A1ALOX15KMT2ACYP1A2CYP3A4
SCHEMBL45551 0.70 FDPS (0.33) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5
SCHEMBL11122530 0.69 POLB (0.51) HPGDMAPTPKMKMT2ACYP1A2
SCHEMBL4623781 0.68 TDP1 (0.49) ALDH1A1HTTMAPTCASP3TSHR
SCHEMBL11964484 0.68 TDP1 (0.49) ALDH1A1HTTMAPTCASP3TSHR
SCHEMBL461207 0.68 CASP3 (0.44) ALDH1A1HTTHPGDHSD17B10MAPT
SCHEMBL3259474 0.68 CASP3 (0.44) ALDH1A1HTTHPGDHSD17B10MAPT

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113768-B1 USE OF ARYLALKANOLAMINES AS SIGMA-1 RECEPTOR ANTAGONISTS UNIV DEGLI STUDI DI PAVIA (IT) 2018-09-26 — — EP disclosed
US-20170015640-A1 USE OF ARYLALKANOLAMINES AS SIGMA-1 RECEPTOR ANTAGONISTS UNIVERSITÀ DEGLI STUDI DI PAVIA (IT) 2017-01-19 — — US disclosed
EP-3113768-A1 USE OF ARYLALKANOLAMINES AS SIGMA-1 RECEPTOR ANTAGONISTS Universita' Degli Studi Di Pavia (IT) 2017-01-11 — — EP disclosed
WO-2015132733-A1 USE OF ARYLALKANOLAMINES AS SIGMA-1 RECEPTOR ANTAGONISTS UNIVERSITA' DEGLI STUDI DI PAVIA (IT) 2015-09-11 — — WO disclosed
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 — — EP disclosed
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 — — EP disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 — — US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 — — US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 — — US disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 — — EP disclosed
US-5162341-A Piperidine Derivatives DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-10 — — US disclosed
WO-1992018127-A1 USE OF SIGMA RECEPTOR ANTAGONISTS TO ENHANCE THE EFFECTS OF ANTIPSYCHOTIC DRUGS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-10-29 — — WO disclosed
EP-0497843-A4 (N-PHTHALIMIDOALKYL) PIPERIDINES — 1992-09-23 — — EP disclosed
EP-0497843-A4 (N-PHTHALIMIDOALKYL) PIPERIDINES — 1992-09-23 — — EP disclosed
WO-1992014463-A1 USE OF SIGMA RECEPTOR ANTAGONISTS FOR TREATMENT OF AMPHETAMINE ABUSE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-09-03 — — WO disclosed
WO-1992014464-A1 USE OF SIGMA RECEPTOR ANTAGONISTS FOR TREATMENT OF COCAINE ABUSE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-09-03 — — WO disclosed
EP-0497843-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-08-12 — — EP disclosed
EP-0497843-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-08-12 — — EP disclosed
WO-1991006297-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-05-16 — — WO disclosed
WO-1991006297-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-05-16 — — WO 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 (3 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-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ALDH1A1 604/4885HTT 274/4885HPGD 2533/4885
US-20170015640-A1 USE OF ARYLALKANOLAMINES AS SIGMA-1 RECEPTOR ANTAGONISTS SIGMAR1, OPRL1, OPRK1 ALDH1A1 455/4885HTT 605/4885HPGD 3676/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ALDH1A1 604/4885HTT 274/4885HPGD 2533/4885

“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.

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