SCHEMBL3608629

SCHEMBL3608629

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.69
HRH4 Q9H3N8 1/20 0.56
PYGL P06737 2/20 0.53
PYGM P11217 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMYD3 Q9H7B4 2/20 0.51
GHSR Q92847 4/20 0.49
KDM4E B2RXH2 1/20 0.48
PDPK1 O15530 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLD2 O14939 1/20 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
SCHEMBL3608632 1.00 MLLT1 (0.69) MLLT1HRH4PYGLPYGMMEN1
SCHEMBL3602723 0.87 GHSR (0.61) MLLT1HRH4PYGLPYGMGHSR
SCHEMBL3602728 0.87 GHSR (0.61) MLLT1HRH4PYGLPYGMGHSR
SCHEMBL3608941 0.86 SMYD3 (0.65) HRH4PYGLPYGMSMYD3
SCHEMBL3603891 0.86 HRH4 (0.56) MLLT1HRH4PYGLPYGMMEN1
SCHEMBL3613025 0.86 HRH4 (0.56) MLLT1HRH4PYGLPYGMMEN1
SCHEMBL3603886 0.86 HRH4 (0.56) MLLT1HRH4PYGLPYGMMEN1
SCHEMBL3608944 0.86 SMYD3 (0.65) HRH4PYGLPYGMSMYD3
SCHEMBL3598547 0.84 KDM4E (0.59) MLLT1HRH4PYGLPYGMMEN1
SCHEMBL3598549 0.84 KDM4E (0.59) MLLT1HRH4PYGLPYGMMEN1

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 MLLT1 2603/4885HRH4 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.