SCHEMBL3610141

SCHEMBL3610141

CN1CC[C@H](NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.50
GRIN1 Q05586 1/20 0.48
UTS2R Q9UKP6 3/20 0.42
PYGL P06737 2/20 0.41
S1PR2 O95136 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
ROCK2 O75116 1/20 0.40
PYGM P11217 1/20 0.40
GHSR Q92847 1/20 0.40
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL3599303 1.00 RHEB (0.50) RHEBGRIN1UTS2RPYGLS1PR2
SCHEMBL3599300 1.00 RHEB (0.50) RHEBGRIN1UTS2RPYGLS1PR2
SCHEMBL3607487 0.93 RHEB (0.47) RHEBGRIN1GHSR
SCHEMBL3610445 0.93 RHEB (0.47) RHEBGRIN1GHSR
SCHEMBL3607484 0.93 RHEB (0.47) RHEBGRIN1GHSR
SCHEMBL3595113 0.91 GRIN1 (0.52) RHEBGRIN1PYGLS1PR2SMYD3
SCHEMBL3603093 0.85 HRH4 (0.57) RHEBUTS2RPYGLPYGMGHSR
SCHEMBL3598903 0.85 HRH4 (0.57) RHEBUTS2RPYGLPYGMGHSR
SCHEMBL3598901 0.85 HRH4 (0.57) RHEBUTS2RPYGLPYGMGHSR
SCHEMBL20536134 0.84 RHEB (0.62) RHEBPYGLSMYD3ROCK2GHSR

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 RHEB 2282/4885GRIN1 650/4885UTS2R 1625/4885

“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.