SCHEMBL9968753

SCHEMBL9968753

CC1Cc2c(c3ccc(Br)nc3n2C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
GRM2 Q14416 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SETD7 Q8WTS6 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAP4K4 O95819 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 2/20 0.31
PIK3CD O00329 1/20 0.31
HDAC1 Q13547 1/20 0.30
ELANE P08246 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL9930710 0.85 MCHR1 (0.45) MCHR1
SCHEMBL9963956 0.80 USP30 (0.40) MCHR1MEN1KMT2ASETD7UCHL1
SCHEMBL9930853 0.79 DDB1 (0.47) MCHR1DDB1CRBNHDAC1
SCHEMBL989533 0.77 DDB1 (0.42) MCHR1MEN1KMT2ADDB1CRBN
SCHEMBL1004761 0.76 DDB1 (0.40) DDB1CRBNHDAC1GPR119
SCHEMBL30339918 0.76 DDB1 (0.40) DDB1CRBNHDAC1GPR119
SCHEMBL9968754 0.73 MCHR1 (0.65) MCHR1GRM2
SCHEMBL158631 0.70 MCHR1 (0.37) MCHR1GRM2USP30HDAC1ELANE
SCHEMBL9968776 0.70 BUB1 (0.38) GRM2DDB1CRBNUCHL1USP30
SCHEMBL158672 0.69 KAT2B (0.39) MCHR1GRM2USP30PIK3CDPIK3CA

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-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 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-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC5R MCHR1 1/4885GRM2 565/4885MEN1 200/4885

“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.