SCHEMBL5354871

SCHEMBL5354871

O=C(c1cccc(F)c1F)N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.73
RXFP1 Q9HBX9 1/20 0.58
HRH4 Q9H3N8 1/20 0.55
SIGMAR1 Q99720 1/20 0.51
CES2 O00748 1/20 0.50
BCHE P06276 1/20 0.50
CES1 P23141 1/20 0.50
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.47
PARP1 P09874 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
P2RX7 Q99572 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL2125884 0.90 HPGD (0.74) HPGDRXFP1HRH4SIGMAR1SMN1; SMN2
SCHEMBL4468180 0.87 RXFP1 (0.66) HPGDRXFP1SIGMAR1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL4460573 0.85 RXFP1 (0.64) HPGDRXFP1SIGMAR1TSHRSMN1; SMN2
SCHEMBL3525904 0.84 RXFP1 (0.72) HPGDRXFP1HRH4SIGMAR1ALDH1A1
SCHEMBL29432644 0.84 HPGD (0.55) HPGDRXFP1HRH4SIGMAR1HTT
SCHEMBL29944124 0.83 HPGD (0.97) HPGDCES2BCHECES1TSHR
Hydrochloric Acid SCHEMBL3528928 0.83 RXFP1 (0.70) HPGDRXFP1HRH4SIGMAR1ALDH1A1
SCHEMBL3528330 0.82 P2RX7 (0.55) HPGDRXFP1HRH4SIGMAR1P2RX7
SCHEMBL13031082 0.82 RXFP1 (0.52) HPGDRXFP1HRH4SIGMAR1SMN1; SMN2
SCHEMBL937500 0.81 LMNA (0.71) HPGDRXFP1HRH4SIGMAR1TSHR

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 12 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-6075026-A Certain substituted 1-aryl-3-piperazin-1'-yl propanones MOLECULAR GERIATRICS, CORP. (US) 2000-06-13 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
EP-0792269-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1997-09-03 EP disclosed
US-5658909-A INHIBITION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPE FORMATION MOLECULAR GERIATRICS CORPORATION (US) 1997-08-19 US disclosed
WO-1996015792-A9 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES 1996-09-12 WO disclosed
WO-1996016052-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO 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 HPGD 3121/4885RXFP1 1941/4885HRH4 1184/4885
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP HPGD 3121/4885RXFP1 1941/4885HRH4 1184/4885

“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.