SCHEMBL17286803

SCHEMBL17286803

CC[C@@H]1CN(c2ccc(Br)cn2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.48
GRM2 Q14416 5/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AKR1C3 P42330 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL17286801 1.00 GRM5 (0.48) GRM5GRM2MAOAMAOBAKR1C3
SCHEMBL3327072 0.88 MAOA (0.47) GRM5MAOAMAOBAKR1C3KDM4E
SCHEMBL15856168 0.88 MAOA (0.47) GRM5MAOAMAOBAKR1C3KDM4E
SCHEMBL15856197 0.88 MAOA (0.47) GRM5MAOAMAOBAKR1C3KDM4E
SCHEMBL15856178 0.86 GRM5 (0.46) GRM5GRM2MAOAMAOBAKR1C3
SCHEMBL3325784 0.86 GRM5 (0.46) GRM5GRM2AKR1C3
SCHEMBL2519025 0.86 GRM5 (0.65) GRM5GRM2MAOAMAOB
SCHEMBL7304594 0.86 GRM5 (0.65) GRM5GRM2MAOAMAOB
Hydrochloric Acid SCHEMBL8354006 0.85 GRM5 (0.45) GRM5GRM2AKR1C3
SCHEMBL3325285 0.82 ABCB11 (0.48) GRM5MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416144-B2 Benzoxazine oxazolidinone compound, preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-16 US disclosed
US-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-26 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-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF OXA1L, XDH, MYD88 GRM5 889/4885GRM2 3349/4885MAOA 1398/4885

“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.