SCHEMBL3395834

SCHEMBL3395834

CSC(=O)N(C)C1CN(c2ccc(N3CCN(C(=O)c4cc(C)on4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.46
MAPT P10636 2/20 0.44
MAOA P21397 5/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
F10 P00742 3/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCD5 Q86SK9 1/20 0.37
GPR6 P46095 1/20 0.37

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
SCHEMBL3394857 0.91 MAOB (0.47) MAOBMAPTMAOAKMT2ALMNA
SCHEMBL3396451 0.88 MAOB (0.45) MAOBMAPTMAOAKMT2ALMNA
SCHEMBL3395525 0.88 KMT2A (0.46) MAOBMAPTMAOAKMT2ALMNA
SCHEMBL3397716 0.86 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394642 0.85 MAOB (0.49) MAOBMAPTMAOAKMT2ALMNA
SCHEMBL3392749 0.84 MAOB (0.47) MAOBMAPTMAOAKMT2ALMNA
SCHEMBL3395668 0.83 MAOB (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3419157 0.83 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3396915 0.83 MAOB (0.52) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394838 0.83 MAOB (0.51) MAOBMAOALMNAPTGS1CALML3

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-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 US claimed
US-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP MAOB 2054/4885MAPT 62/4885MAOA 2174/4885

“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.