SCHEMBL497714

SCHEMBL497714

[CH2]CCCCC(=O)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA4 P43681 1/20 0.48
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KDM4A O75164 11/20 0.34
KDM4C Q9H3R0 11/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
TBXAS1 P24557 1/20 0.33

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
SCHEMBL1415984 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL7558675 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL2537508 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL7555488 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL7555162 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL2540699 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL497804 0.92
SCHEMBL131476 0.87 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL3189950 0.84 ALDH1A1 (0.70) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL422710 0.81

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979690-B2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-12-27 US claimed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US claimed
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO claimed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP claimed
US-5843951-A Analgesic composition of pyrazolo(1,5-A) pyrimidines OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1998-12-01 US claimed
EP-0795555-A1 ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-09-17 EP claimed
EP-2751084-B1 PYRIMIDINE CARBOXAMIDE DERIVATIVES EUDIS BIOTECH LLC (CN) 2016-09-21 EP disclosed
CN-103917526-B Pyrimidine carboxamide derivatives 南京优迪生物医药有限公司 2016-08-24 CN disclosed
US-9249107-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2016-02-02 US disclosed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US disclosed
EP-2834223-A2 (1,2,3-TRIAZOLYL) SULFONYL DERIVATIVES Apac Pharmaceutical LLC. (US) 2015-02-11 EP disclosed
US-8853248-B2 (1,2,3-triazolyl)sulfonyl derivatives MAEHR HUBERT (US) 2014-10-07 US disclosed
CN-103917526-A Pyrimidine carboxamide derivatives APAC PHARMACEUTICAL LLC 2014-07-09 CN disclosed
US-5371098-A Use of oxazole compounds to treat osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0376197-B1 Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-12 EP disclosed
US-5239080-A Oxazole compounds and their use as antidiabetic and bone-reduction inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-24 US disclosed
US-5158943-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-27 US disclosed
EP-0460488-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1991-12-11 EP disclosed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 US disclosed
EP-0440183-A1 Oxazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-07 EP 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-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators HRH4, HRH2, HTR4 ALDH1A1 2035/4885CHRNB2 429/4885CHRNB4 194/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 ALDH1A1 98/4885CHRNB2 4764/4885CHRNB4 4823/4885

“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.