SCHEMBL3610445

SCHEMBL3610445

CN1CCC[C@H](NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.47
GRIN1 Q05586 1/20 0.46
GHSR Q92847 4/20 0.46
MALT1 Q9UDY8 1/20 0.46
SYK P43405 1/20 0.45
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
KCNH2 Q12809 2/20 0.43
DRD4 P21917 1/20 0.43
SLC6A2 P23975 1/20 0.43
PBK Q96KB5 1/20 0.41
IL1B P01584 1/20 0.41
NLRP3 Q96P20 1/20 0.41
POLB P06746 1/20 0.41
CACNA1H O95180 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3607484 1.00 RHEB (0.47) RHEBGRIN1GHSRMALT1SYK
SCHEMBL3607487 1.00 RHEB (0.47) RHEBGRIN1GHSRMALT1SYK
SCHEMBL3599303 0.93 RHEB (0.50) RHEBGRIN1GHSR
SCHEMBL3599300 0.93 RHEB (0.50) RHEBGRIN1GHSR
SCHEMBL3610141 0.93 RHEB (0.50) RHEBGRIN1GHSR
SCHEMBL3595113 0.89 GRIN1 (0.52) RHEBGRIN1
SCHEMBL17206304 0.84 GRIN1 (0.55) RHEBGRIN1
SCHEMBL18520576 0.82 GRIN1 (0.50) RHEBGRIN1
SCHEMBL3609483 0.81 KDM4E (0.49) GHSRPBKPOLB
SCHEMBL3609484 0.81 KDM4E (0.49) GHSRPBKPOLB

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 RHEB 2282/4885GRIN1 650/4885GHSR 2639/4885

“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.