SCHEMBL5533776

SCHEMBL5533776

N#CC1(c2ccc(-c3ccc(N4CC(CO)OC4=O)cc3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.47
MAOA P21397 4/20 0.42
MAOB P27338 3/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 1/20 0.41
GRM2 Q14416 3/20 0.39

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
SCHEMBL5533771 1.00 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL5520983 0.88 CALML3 (0.63) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL5520989 0.88 CALML3 (0.63) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL5523064 0.87 ABCB11 (0.48) CALML3MAOAMAOB
SCHEMBL5519710 0.84 MAOA (0.53) MAOAMAOBCYP2C9CYP3A4
SCHEMBL5531273 0.84 GRM2 (0.40) CALML3GRM2
SCHEMBL5531268 0.84 GRM2 (0.40) CALML3GRM2
SCHEMBL5531661 0.83 GRM2 (0.39) GRM2
SCHEMBL5531671 0.83 GRM2 (0.39) GRM2
SCHEMBL5738529 0.83 GRM2 (0.35) CALML3MAOAMAOBGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
EP-1654259-A1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-10 EP disclosed
WO-2005005420-A1 CYCLOPROPYL GROUP SUBSTITUTED OYAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 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 (1 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-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo IL17A, COASY, OXA1L CALML3 3443/4885MAOA 2435/4885MAOB 1387/4885

“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.