SCHEMBL3602232

SCHEMBL3602232

CN1CC[C@@H](NC(=O)c2cc3ccc(N(C)C)cc3[nH]2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.50
USP30 Q70CQ3 1/20 0.50
KDM5A P29375 1/20 0.44
PYGL P06737 1/20 0.43
CFTR P13569 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
GHSR Q92847 3/20 0.42
DRD4 P21917 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
MLLT1 Q03111 1/20 0.41
ROCK1 Q13464 1/20 0.40
MCHR1 Q99705 1/20 0.39
SMYD3 Q9H7B4 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
SCHEMBL3602235 1.00 ROCK2 (0.50) ROCK2USP30KDM5APYGLCFTR
SCHEMBL3604732 0.94 GHSR (0.49) ROCK2USP30KDM5APYGLCFTR
SCHEMBL3604730 0.94 GHSR (0.49) ROCK2USP30KDM5APYGLCFTR
SCHEMBL3610770 0.84 DRD4 (0.57) ROCK2USP30KDM5APYGLGHSR
SCHEMBL3607516 0.84 ALOX15 (0.56) ROCK2USP30PYGLHRH4SMYD3
SCHEMBL3608594 0.84 ALOX15 (0.56) ROCK2USP30PYGLHRH4SMYD3
SCHEMBL3610774 0.84 DRD4 (0.57) ROCK2USP30KDM5APYGLGHSR
SCHEMBL3607511 0.84 ALOX15 (0.56) ROCK2USP30PYGLHRH4SMYD3
SCHEMBL3605930 0.80 SMYD3 (0.46) USP30CFTRHDAC3HDAC1MLLT1
SCHEMBL3605926 0.80 SMYD3 (0.46) USP30CFTRHDAC3HDAC1MLLT1

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 ROCK2 544/4885USP30 1976/4885KDM5A 347/4885

“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.