SCHEMBL3603891

SCHEMBL3603891

CN1CCC(NC(=O)c2cc3cc(Br)ccc3[nH]2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
PYGL P06737 2/20 0.53
PYGM P11217 1/20 0.53
MLLT1 Q03111 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
GHSR Q92847 3/20 0.49
IDO1 P14902 4/20 0.49
SMYD3 Q9H7B4 1/20 0.47
ROCK2 O75116 1/20 0.47
DRD4 P21917 2/20 0.47
F10 P00742 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL3603886 1.00 HRH4 (0.56) HRH4HRH3PYGLPYGMMLLT1
SCHEMBL3613025 1.00 HRH4 (0.56) HRH4HRH3PYGLPYGMMLLT1
SCHEMBL3610770 0.91 DRD4 (0.57) HRH4HRH3PYGLPYGMMLLT1
SCHEMBL3610774 0.91 DRD4 (0.57) HRH4HRH3PYGLPYGMMLLT1
SCHEMBL3602728 0.87 GHSR (0.61) HRH4PYGLPYGMMLLT1POLB
SCHEMBL3602723 0.87 GHSR (0.61) HRH4PYGLPYGMMLLT1POLB
SCHEMBL3608944 0.86 SMYD3 (0.65) HRH4HRH3PYGLPYGMSMYD3
SCHEMBL3608632 0.86 MLLT1 (0.69) HRH4PYGLPYGMMLLT1MEN1
SCHEMBL3608941 0.86 SMYD3 (0.65) HRH4HRH3PYGLPYGMSMYD3
SCHEMBL3608629 0.86 MLLT1 (0.69) HRH4PYGLPYGMMLLT1MEN1

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 HRH4 396/4885HRH3 243/4885PYGL 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.