SCHEMBL4246548

SCHEMBL4246548

CCCN1CCOC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD3 P35462 5/20 0.34
NAAA Q02083 1/20 0.34
PKM P14618 1/20 0.34
DRD2 P14416 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ADAM17 P78536 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
PNMT P11086 1/20 0.33
GAA P10253 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11703082 0.89 ALDH1A1 (0.40) ALDH1A1THRBL3MBTL1DRD3NAAA
SCHEMBL1708734 0.83
SCHEMBL725118 0.82 POLB (0.40) ALDH1A1THRBL3MBTL1DRD3PKM
SCHEMBL24864597 0.80 DAO (0.32)
SCHEMBL3042153 0.80 KDM4E (0.45) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16271560 0.79 CARM1 (0.44) SMN1; SMN2
SCHEMBL16271565 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ELMNACYP1A2KMT2A
SCHEMBL17722879 0.79
SCHEMBL18027710 0.75 PIK3CD (0.33) SMN1; SMN2MEN1KMT2A
SCHEMBL7576106 0.75 PIK3CD (0.33) SIGMAR1

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-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 US disclosed
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 US disclosed
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 US disclosed
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP disclosed
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP disclosed
EP-1758862-A1 AMINOPYRIDINE DERIVATIVES AS SELECTIVE DOPAMINE D3 AGONISTS Pfizer Limited (GB) 2007-03-07 EP disclosed
EP-1753763-A2 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Pfizer Limited (GB) 2007-02-21 EP disclosed
US-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals PFIZER INC 2005-12-29 US disclosed
WO-2005115985-A1 AMINOPYRIDINE DERIVATIVES AS SELECTIVE DOPAMINE D3 AGONISTS PFIZER LIMITED (GB) 2005-12-08 WO disclosed
WO-2005116027-A2 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LIMTED (GB) 2005-12-08 WO disclosed
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals PFIZER INC 2005-12-01 US disclosed
US-5206157-A Cyclization of n-substituted dialkanolamine using Gluconobacter TEXACO INC. (US) 1993-04-27 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 (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-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals DRD2, DRD1, DRD3 ALDH1A1 792/4885THRB 2692/4885L3MBTL1 4477/4885
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals DRD2, DRD1, DRD3 ALDH1A1 1067/4885THRB 2280/4885L3MBTL1 4182/4885
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals DRD2, DRD3, DRD1 ALDH1A1 708/4885THRB 2285/4885L3MBTL1 4296/4885

“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.