SCHEMBL5479147

SCHEMBL5479147

N#CC1(c2ccccc2)CC1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.38
MAOA P21397 8/20 0.38
KDM1A O60341 5/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
DPP4 P27487 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4811682 0.79 MAOB (0.38) MAOBMAOA
SCHEMBL4345940 0.79 MAOB (0.38) MAOBMAOAKDM1AOPRM1OPRL1
SCHEMBL6230490 0.76 MAOA (0.48) MAOBMAOAKDM1A
SCHEMBL11126717 0.75 LMNA (0.36) MAOBMAOAKDM1AOPRM1OPRL1
SCHEMBL8072323 0.75 OPRL1 (0.35) MAOBMAOAKDM1AOPRM1OPRL1
SCHEMBL11133978 0.73 HTR2C (0.36) MAOBMAOAOPRM1
SCHEMBL4402453 0.73 PTGS2 (0.36) MAOBMAOAOPRM1
SCHEMBL8927314 0.73 PTGS2 (0.36) MAOBMAOAOPRM1
SCHEMBL13224856 0.73 PTGS2 (0.36) MAOBMAOAOPRM1
SCHEMBL28468651 0.73 HTR2C (0.50) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105921-A1 Process for Preparing Oxazole Intermediates PHARMACIA & UPJOHN COMPANY 2007-05-10 US disclosed
US-7115747-B2 Process for preparing oxazole intermediates PHARMACIA & UPJOHN COMPANY (US) 2006-10-03 US disclosed
EP-1532123-A1 PROCESS FOR PREPARING 5-(1, 3-OXAZOL-2-YL) BENZOIC ACID DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040063965-A1 Process for preparing oxazole intermediates PHARMACEIA & UPJOHN 2004-04-01 US disclosed
WO-2004000821-A1 PROCESS FOR PREPARING 5-(1, 3-OXAZOL-2-YL) BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-12-31 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-20040063965-A1 Process for preparing oxazole intermediates PSEN1, SOD1, OXA1L MAOB 168/4885MAOA 72/4885KDM1A 2209/4885
US-20070105921-A1 Process for Preparing Oxazole Intermediates OXA1L, SOD1, PSEN1 MAOB 154/4885MAOA 84/4885KDM1A 1530/4885

“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.