SCHEMBL5365088

SCHEMBL5365088

O=C(CCN1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.69
▸ HIF1A Q16665 1/20 0.65
▸ EPAS1 Q99814 1/20 0.65
▸ PRKAB2 O43741 1/20 0.56
▸ PRKAG1 P54619 1/20 0.56
▸ PRKAA2 P54646 1/20 0.56
▸ PRKAA1 Q13131 1/20 0.56
▸ PRKAG3 Q9UGI9 1/20 0.56
▸ PRKAG2 Q9UGJ0 1/20 0.56
▸ PRKAB1 Q9Y478 1/20 0.56
▸ FAAH O00519 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ ACHE P22303 3/20 0.54
▸ BCHE P06276 2/20 0.54
▸ CHRM4 P08173 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL5373264 0.89 ALDH1A1 (0.67) ALDH1A1ACHEBCHEKMT2A
SCHEMBL14578048 0.89 USP2 (0.60) SIGMAR1HIF1AEPAS1ALDH1A1ACHE
Hydrochloric Acid SCHEMBL5370442 0.88 USP2 (0.58) SIGMAR1HIF1AEPAS1ALDH1A1ACHE
SCHEMBL4512612 0.86 ALDH1A1 (0.71) SIGMAR1ALDH1A1ACHEBCHEKMT2A
Hydrochloric Acid SCHEMBL5352820 0.85 ALDH1A1 (0.60) SIGMAR1HIF1AEPAS1FAAHALDH1A1
Hydrochloric Acid SCHEMBL3844581 0.85 ALDH1A1 (0.69) SIGMAR1ALDH1A1ACHEBCHEKMT2A
Hydrochloric Acid SCHEMBL7293384 0.84 HTR1A (0.66) ALDH1A1ACHEBCHEKMT2AHTT
Hydrochloric Acid SCHEMBL5358851 0.84 HTR1A (0.66) ALDH1A1ACHEBCHEKMT2AHTT
SCHEMBL14577876 0.84 ALDH1A1 (0.60) ALDH1A1ACHEKMT2A
Hydrochloric Acid SCHEMBL5358643 0.83 EGFR (0.57) ALDH1A1ACHEBCHECHRM4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173132-B2 Certain substituted 1-aryl-3-piperazine-1′-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2007-02-06 — — US disclosed
US-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2003-12-25 — — US disclosed
US-6306857-B1 INHIBITION OF ABNORMALLY PHOSPHORYLATED MOLECULAR GERIATRICS CORPORATION 2001-10-23 — — US disclosed
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATARICS CORPORATION 2001-09-27 — — US disclosed
US-6214994-B1 TREATMENT OF NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS, AND PREVENTING OR DECREASING PRODUCTION OF PHOSPHORYLATED PAIRED HELICAL FILAMENT (PHF) EPITOPES ASSOCIATED WITH ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION 2001-04-10 — — US disclosed
US-5693804-A USEFUL IN TREATING NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS AND ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION (US) 1997-12-02 — — US disclosed
US-5658909-A INHIBITION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPE FORMATION MOLECULAR GERIATRICS CORPORATION (US) 1997-08-19 — — US disclosed
WO-1996015792-A1 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 — — 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 (2 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-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP SIGMAR1 3020/4885HIF1A 1448/4885EPAS1 627/4885
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP SIGMAR1 3020/4885HIF1A 1448/4885EPAS1 627/4885

“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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