SCHEMBL5515404

SCHEMBL5515404

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)CC4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.58
CALML3 P27482 4/20 0.53
MAOB P27338 3/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5525674 0.91 MAOA (0.49) MAOACALML3MAOBPTGS1SDHA
SCHEMBL14447152 0.91 MAOA (0.49) MAOACALML3MAOBPTGS1SDHA
SCHEMBL5523064 0.89 ABCB11 (0.48) MAOACALML3MAOBPTGS1SDHA
SCHEMBL13711498 0.88 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3372083 0.88 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL5520983 0.88 CALML3 (0.63) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL5520989 0.88 CALML3 (0.63) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL5526608 0.88 MAOA (0.61) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3370872 0.88 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA
SCHEMBL14012431 0.88 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA

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 MAOA 2435/4885CALML3 3443/4885MAOB 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.