SCHEMBL3205690

SCHEMBL3205690

CN1CC(CO)Oc2c(Br)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASR P41180 1/20 0.34
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HTR1A P08908 2/20 0.32
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31

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
SCHEMBL6099722 0.85 NISCH (0.50) MAOAMAOBNISCHKDM4EALDH1A1
SCHEMBL6101163 0.84 MAOA (0.38) MAOAMAOBNISCHKDM4EALDH1A1
SCHEMBL7919024 0.83 KDM4E (0.46) MAOAMAOBNISCHKDM4EALDH1A1
SCHEMBL3216506 0.79 SIRT1 (0.36) MAOAMAOBCYP3A4THRBCYP2C9
SCHEMBL13486996 0.79 ALDH1A1 (0.39) NISCHALDH1A1CASRCYP3A4CYP2C9
SCHEMBL6102026 0.76 CASR (0.49) NISCHCASRSIRT2SIRT1HTR1A
SCHEMBL731248 0.76 CASR (0.49) NISCHCASRSIRT2SIRT1HTR1A
SCHEMBL1689633 0.76 CASR (0.49) NISCHCASRSIRT2SIRT1HTR1A
SCHEMBL3205346 0.75 UCHL1 (0.44)
SCHEMBL31378741 0.75 RORC (0.39) MAOAMAOBNISCHCASRCYP3A4

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R MAOA 156/4885MAOB 160/4885NISCH 1472/4885

“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.