SCHEMBL3596189

SCHEMBL3596189

Cc1c(C(=O)NC2CCN(C)C2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
PTGS2 P35354 2/20 0.47
VCP P55072 1/20 0.47
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
FLT3 P36888 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
USP30 Q70CQ3 1/20 0.43
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3596188 1.00 MAOA (0.48) MAOAPTGS2VCPHTR3EHTR3B
SCHEMBL3613589 1.00 MAOA (0.48) MAOAPTGS2VCPHTR3EHTR3B
SCHEMBL3602791 0.93 PTGS2 (0.52) MAOAPTGS2HTR3EHTR3BHTR3A
SCHEMBL3605641 0.93 PTGS2 (0.52) MAOAPTGS2HTR3EHTR3BHTR3A
SCHEMBL3602793 0.93 PTGS2 (0.52) MAOAPTGS2HTR3EHTR3BHTR3A
SCHEMBL3613464 0.80 ADORA1 (0.54) PTGS2ALDH1A1MEN1KMT2A
SCHEMBL3601637 0.80 ADORA1 (0.54) PTGS2ALDH1A1MEN1KMT2A
SCHEMBL3601639 0.80 ADORA1 (0.54) PTGS2ALDH1A1MEN1KMT2A
SCHEMBL3613688 0.78 MAOA (0.56) MAOAPTGS2HTR3EHTR3BHTR3A
SCHEMBL3613693 0.78 MAOA (0.56) MAOAPTGS2HTR3EHTR3BHTR3A

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT MAOA 31/4885PTGS2 356/4885VCP 4432/4885

“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.