SCHEMBL3370191

SCHEMBL3370191

O=C1O[C@@H](Cn2cc(F)nn2)CN1c1ccc(I)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.63
KCNH2 Q12809 3/20 0.62
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAOB P27338 1/20 0.50
CALML3 P27482 1/20 0.47

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
SCHEMBL12956122 0.91 MAOA (0.56) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL4490704 0.90 MAOA (0.64) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL3326714 0.90 MAOA (0.70) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL16766787 0.89 MAOA (0.57) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL1035538 0.89 MAOA (0.57) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL4488687 0.89 MAOA (0.57) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL16737257 0.88 MAOA (0.65) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL4493776 0.88 MAOA (0.54) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL4487322 0.88 MAOA (0.56) MAOAKCNH2CYP3A4CYP2D6MAOB
SCHEMBL4489019 0.88 MAOA (0.65) MAOAKCNH2CYP3A4CYP2D6MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1816548-B cyclopropyl substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO INC 2011-01-12 CN disclosed
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
CN-1816548-A cyclopropyl substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO INC (US) 2006-08-09 CN disclosed
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE 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 (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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885KCNH2 3456/4885CYP3A4 117/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885KCNH2 3456/4885CYP3A4 117/4885

“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.