SCHEMBL4822124

SCHEMBL4822124

[CH2]c1ccc(CCC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
THRB P10828 1/20 0.35
ALOX5 P09917 1/20 0.35
PDK2 Q15119 1/20 0.35
CA2 P00918 1/20 0.34
KAT6A Q92794 1/20 0.34

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
SCHEMBL11208022 0.83 TRPA1 (0.41) NPC1TP53RAB9ASMN1; SMN2LPL
SCHEMBL530305 0.80 CNR1 (0.48) CNR1CNR2NPC1TP53PKM
Ammonia Solution, Strong SCHEMBL6193068 0.78 CNR1 (0.47) CNR1CNR2NPC1TP53PKM
SCHEMBL9100129 0.77 CNR1 (0.45) CNR1CNR2LPLLIPGTHRB
SCHEMBL2539422 0.77 SKP2 (0.46) CNR1CNR2LPLLIPGTHRB
SCHEMBL9921243 0.77 DAO (0.50) CNR1CNR2NPC1TP53PKM
SCHEMBL15495007 0.75 CNR1 (0.44) CNR1CNR2NPC1TP53PKM
SCHEMBL1524010 0.75 CNR1 (0.64) CNR1CNR2TP53HSD17B10ALOX5
SCHEMBL530150 0.75 PNMT (0.45) CNR1CNR2NPC1TP53PKM
SCHEMBL20226499 0.75 SKP2 (0.48) CNR1CNR2NPC1TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388118-B2 Amine 1,2- and 1,3-diol compounds PHAMACIA & UPJOHN COMPANY LLC (US) 2008-06-17 US claimed
EP-1453792-B1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2007-04-18 EP claimed
EP-1453792-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
US-20040039064-A1 Amine 1,2- and 1,3-diol compounds PHARMACIA & UPJOHN COMPANY LLC 2004-02-26 US claimed
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines ELAN PHARMACEUTICALS, INC. 2004-02-19 US claimed
WO-2003043975-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
US-7388118-B2 Amine 1,2- and 1,3-diol compounds PHAMACIA & UPJOHN COMPANY LLC (US) 2008-06-17 US disclosed
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed
EP-1453792-B1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2007-04-18 EP disclosed
EP-1453792-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
US-20040039064-A1 Amine 1,2- and 1,3-diol compounds PHARMACIA & UPJOHN COMPANY LLC 2004-02-26 US disclosed
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines ELAN PHARMACEUTICALS, INC. 2004-02-19 US disclosed
WO-2003043975-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 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-20040039064-A1 Amine 1,2- and 1,3-diol compounds BACE1, BACE2, APP CNR1 147/4885CNR2 570/4885NPC1 132/4885
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines BACE1, APP, BACE2 CNR1 340/4885CNR2 335/4885NPC1 1907/4885

“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.