SCHEMBL5523064

SCHEMBL5523064

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)CC4)nc3)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.48
MAOA P21397 5/20 0.45
MAOB P27338 2/20 0.45
PTGS1 P23219 2/20 0.45
SDHA P31040 2/20 0.45
LMNA P02545 1/20 0.45
CALML3 P27482 1/20 0.45
F10 P00742 6/20 0.44

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
SCHEMBL5515404 0.89 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5525674 0.88 MAOA (0.49) ABCB11MAOAMAOBPTGS1SDHA
SCHEMBL14447152 0.88 MAOA (0.49) ABCB11MAOAMAOBPTGS1SDHA
SCHEMBL3371800 0.87 ABCB11 (0.46) ABCB11MAOAMAOBPTGS1SDHA
SCHEMBL13711572 0.87 ABCB11 (0.46) ABCB11MAOAMAOBPTGS1SDHA
SCHEMBL5533776 0.87 CALML3 (0.47) MAOAMAOBCALML3
SCHEMBL5533771 0.87 CALML3 (0.47) MAOAMAOBCALML3
SCHEMBL5522192 0.86 ABCB11 (0.50) ABCB11MAOAMAOBPTGS1SDHA
SCHEMBL13334906 0.86 ABCB11 (0.46) ABCB11MAOAMAOBPTGS1SDHA
SCHEMBL3366591 0.86 ABCB11 (0.46) ABCB11MAOAMAOBPTGS1SDHA

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-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US claimed
EP-1654259-A1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-10 EP claimed
WO-2005005420-A1 CYCLOPROPYL GROUP SUBSTITUTED OYAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO claimed
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
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 ABCB11 30/4885MAOA 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.