SCHEMBL2197366

SCHEMBL2197366

CCCCCCN(CCC(C)C)C([NH])=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 1/20 0.41
GGPS1 O95749 3/20 0.39
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
MGLL Q99685 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL3842358 0.88 CA12 (0.50) CA1CA12CA9CA2ZDHHC20
SCHEMBL2547203 0.88 CA12 (0.50) CA1CA12CA9CA2ZDHHC20
SCHEMBL292339 0.88 CA12 (0.50) CA1CA12CA9CA2ZDHHC20
SCHEMBL4809167 0.88 CA12 (0.50) CA1CA12CA9CA2ZDHHC20
SCHEMBL293959 0.86 CA12 (0.48) CA1CA12CA9CA2ZDHHC20
SCHEMBL5198515 0.84 CA1 (0.41) CA1CA12CA9CA2
SCHEMBL5199715 0.82 KDM4C (0.38) CA1CA12CA9CA2
SCHEMBL42635 0.80 CA12 (0.56) CA1CA12CA9CA2ZDHHC20
SCHEMBL25615767 0.78 GGPS1 (0.42) CA1CA12CA9CA2GGPS1
SCHEMBL13997447 0.78 GGPS1 (0.42) CA1CA12CA9CA2GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 EP disclosed
US-20060160877-A1 2-Heteroaryl carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 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-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CA1 491/4885CA12 1231/4885CA9 3654/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C CA1 491/4885CA12 1231/4885CA9 3654/4885

“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.