SCHEMBL3608941

SCHEMBL3608941

CN1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.65
HRH4 Q9H3N8 4/20 0.63
HRH3 Q9Y5N1 3/20 0.63
PYGL P06737 5/20 0.62
HRH1 P35367 1/20 0.56
F10 P00742 8/20 0.55
EHMT2 Q96KQ7 1/20 0.54
PYGM P11217 4/20 0.54
F2 P00734 4/20 0.53

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
SCHEMBL3608944 1.00 SMYD3 (0.65) SMYD3HRH4HRH3PYGLHRH1
SCHEMBL3608594 0.91 ALOX15 (0.56) SMYD3HRH4HRH3PYGLF10
SCHEMBL3607511 0.91 ALOX15 (0.56) SMYD3HRH4HRH3PYGLF10
SCHEMBL3607516 0.91 ALOX15 (0.56) SMYD3HRH4HRH3PYGLF10
SCHEMBL3602723 0.87 GHSR (0.61) HRH4PYGLPYGM
SCHEMBL3602728 0.87 GHSR (0.61) HRH4PYGLPYGM
SCHEMBL3603891 0.86 HRH4 (0.56) SMYD3HRH4HRH3PYGLF10
SCHEMBL3608629 0.86 MLLT1 (0.69) SMYD3HRH4PYGLPYGM
SCHEMBL3608632 0.86 MLLT1 (0.69) SMYD3HRH4PYGLPYGM
SCHEMBL3603886 0.86 HRH4 (0.56) SMYD3HRH4HRH3PYGLF10

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 SMYD3 811/4885HRH4 396/4885HRH3 243/4885

“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.