SCHEMBL6764112

SCHEMBL6764112

Cc1cnnn1C[C@H]1CN(c2ccc(C3(C#N)CC3)cc2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
SIGMAR1 Q99720 17/20 0.42
GRM2 Q14416 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
SCHEMBL6619682 0.87 SIGMAR1 (0.41) MAOASIGMAR1
SCHEMBL6607680 0.80 MAOA (0.54) MAOASIGMAR1GRM2
SCHEMBL6610525 0.80 SIGMAR1 (0.47) SIGMAR1GRM2
SCHEMBL6606001 0.80 SIGMAR1 (0.41) SIGMAR1GRM2
SCHEMBL6607375 0.80 SIGMAR1 (0.41) MAOASIGMAR1GRM2
SCHEMBL6609785 0.80 KCNH2 (0.54) MAOA
SCHEMBL6637360 0.80 MAOA (0.49) MAOASIGMAR1GRM2
SCHEMBL6637365 0.80 MAOA (0.49) MAOASIGMAR1GRM2
SCHEMBL6773416 0.80 SIGMAR1 (0.39) SIGMAR1GRM2
SCHEMBL6608506 0.78 SIGMAR1 (0.41) SIGMAR1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US claimed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US claimed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 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 (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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 MAOA 3188/4885SIGMAR1 2883/4885GRM2 3382/4885

“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.