SCHEMBL3944862

SCHEMBL3944862

CCOC(=O)Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
TBXAS1 P24557 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 1/20 0.44
NOTUM Q6P988 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL14617665 0.81 PPID (0.63) ALDH1A1MAPK1JAK2JAK3RXFP1
SCHEMBL31618788 0.81 KDM4E (0.47) PPARGPPARACA12CA1CA2
SCHEMBL3094168 0.81 KDM4E (0.50) PPARGPPARACA12CA1CA2
SCHEMBL11829184 0.80 RXFP1 (0.47) KDM4EALDH1A1MAPK1JAK2JAK3
SCHEMBL1363765 0.80 RXFP1 (0.61) CA12CA1CA2CA9KDM4E
SCHEMBL11488655 0.80 L3MBTL1 (0.41) PPARGPPARAALDH1A1MAPK1TBXAS1
SCHEMBL11486163 0.80 NPC1 (0.41) PPARGPPARACA12CA1CA2
SCHEMBL1177658 0.79 NSD2 (0.57) PPARGPPARACA12CA1CA2
SCHEMBL5717609 0.78 KDM4E (0.50) PPARGPPARACA12CA1CA2
SCHEMBL13034156 0.77 ALDH1A1 (0.51) PPARGPPARACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101619057-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC 2010-01-06 CN disclosed
CN-100509804-C N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2009-07-08 CN disclosed
US-7538222-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-7476682-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7253186-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2007-08-07 US disclosed
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-09-14 US disclosed
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-05-04 US disclosed
CN-1675201-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2005-09-28 CN disclosed
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US 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 (4 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-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B PPARG 594/4885PPARA 940/4885CA12 4581/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B PPARG 591/4885PPARA 910/4885CA12 4607/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B PPARG 591/4885PPARA 910/4885CA12 4607/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B PPARG 591/4885PPARA 910/4885CA12 4607/4885

“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.