SCHEMBL3370690

SCHEMBL3370690

N#CC1(c2ccncc2-c2ccc(N3C[C@H](Cn4nncc4F)OC3=O)cc2F)C2CNCC21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.53
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
CALML3 P27482 1/20 0.46
KCNH2 Q12809 1/20 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
Hydrochloric Acid SCHEMBL5476341 0.99 MAOA (0.54) MAOACYP3A4CYP2D6CALML3
SCHEMBL3367068 0.88 MAOA (0.53) MAOACYP3A4CYP2D6CALML3KCNH2
Hydrochloric Acid SCHEMBL5487231 0.87 MAOA (0.54) MAOACYP3A4CYP2D6CALML3KCNH2
SCHEMBL3368807 0.85 MAOA (0.47) MAOACYP3A4CYP2D6CALML3KCNH2
SCHEMBL14012849 0.84 MAOA (0.53) MAOACYP3A4CYP2D6CALML3
Hydrochloric Acid SCHEMBL3368980 0.83 MAOA (0.54) MAOACYP3A4CYP2D6CALML3
SCHEMBL3368994 0.80 CYP3A4 (0.54) MAOACYP3A4CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5485468 0.80 CYP3A4 (0.53) MAOACYP3A4CYP2D6KCNH2
SCHEMBL6021306 0.77 CYP3A4 (0.64) MAOACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3366659 0.77 CYP3A4 (0.63) MAOACYP3A4CYP2D6

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
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP claimed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US claimed
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP claimed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US claimed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO claimed
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
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US 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 2977/4885CYP3A4 117/4885CYP2D6 83/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885CYP3A4 117/4885CYP2D6 83/4885

“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.