SCHEMBL3598903

SCHEMBL3598903

CN1CCC(NC(=O)c2cc3c(Cl)cccc3[nH]2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.57
PYGL P06737 1/20 0.55
PYGM P11217 1/20 0.55
SSTR1 P30872 1/20 0.44
SSTR4 P31391 1/20 0.44
UTS2R Q9UKP6 2/20 0.43
GHSR Q92847 2/20 0.43
RHEB Q15382 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
SGK1 O00141 1/20 0.42
USP30 Q70CQ3 1/20 0.42
KDM5A P29375 1/20 0.42
USP7 Q93009 1/20 0.42
USP47 Q96K76 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FLT3 P36888 1/20 0.41

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
SCHEMBL3598901 1.00 HRH4 (0.57) HRH4PYGLPYGMSSTR1SSTR4
SCHEMBL3603093 1.00 HRH4 (0.57) HRH4PYGLPYGMSSTR1SSTR4
SCHEMBL3610141 0.85 RHEB (0.50) HRH4PYGLPYGMUTS2RGHSR
SCHEMBL3599300 0.85 RHEB (0.50) HRH4PYGLPYGMUTS2RGHSR
SCHEMBL3599303 0.85 RHEB (0.50) HRH4PYGLPYGMUTS2RGHSR
SCHEMBL3609388 0.85 HRH4 (0.58) HRH4DRD2DRD3FLT3
SCHEMBL3609392 0.85 HRH4 (0.58) HRH4DRD2DRD3FLT3
SCHEMBL15506684 0.81 PYGL (0.53) HRH4PYGLPYGMFLT3
SCHEMBL3612068 0.81 HDAC3 (0.45) HRH4SSTR1SSTR4KDM5A
SCHEMBL3613526 0.81 HDAC3 (0.45) HRH4SSTR1SSTR4KDM5A

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 3 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
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 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 (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 HRH4 396/4885PYGL 531/4885PYGM 3216/4885

“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.