SCHEMBL3607511

SCHEMBL3607511

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.56
HRH4 Q9H3N8 3/20 0.56
PYGL P06737 2/20 0.53
PYGM P11217 1/20 0.53
SMYD3 Q9H7B4 2/20 0.53
USP30 Q70CQ3 1/20 0.52
ROCK2 O75116 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
F10 P00742 3/20 0.48

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
SCHEMBL3607516 1.00 ALOX15 (0.56) ALOX15HRH4PYGLPYGMSMYD3
SCHEMBL3608594 1.00 ALOX15 (0.56) ALOX15HRH4PYGLPYGMSMYD3
SCHEMBL3608944 0.91 SMYD3 (0.65) HRH4PYGLPYGMSMYD3HRH3
SCHEMBL3608941 0.91 SMYD3 (0.65) HRH4PYGLPYGMSMYD3HRH3
SCHEMBL3610770 0.86 DRD4 (0.57) HRH4PYGLPYGMUSP30ROCK2
SCHEMBL3610774 0.86 DRD4 (0.57) HRH4PYGLPYGMUSP30ROCK2
SCHEMBL3602232 0.84 ROCK2 (0.50) HRH4PYGLSMYD3USP30ROCK2
SCHEMBL3602235 0.84 ROCK2 (0.50) HRH4PYGLSMYD3USP30ROCK2
SCHEMBL3599303 0.82 RHEB (0.50) HRH4PYGLPYGMSMYD3ROCK2
SCHEMBL3599300 0.82 RHEB (0.50) HRH4PYGLPYGMSMYD3ROCK2

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 ALOX15 1315/4885HRH4 396/4885PYGL 531/4885

“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.