SCHEMBL9929924

SCHEMBL9929924

CC1Cc2c(c3ccc(Br)cc3n2C)CN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.37
EGLN1 Q9GZT9 2/20 0.37
BAZ2B Q9UIF8 2/20 0.36
MCL1 Q07820 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR5A P47898 1/20 0.33
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
TYRO3 Q06418 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR6 P50406 1/20 0.31
KCNK3 O14649 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL9963956 0.85 USP30 (0.40) MCHR1EGLN1BAZ2BHDAC1HDAC6
SCHEMBL9930710 0.78 MCHR1 (0.45) MCHR1KCNK3
SCHEMBL3477090 0.75 BAZ2B (0.53) MCHR1EGLN1BAZ2BHDAC1HDAC6
SCHEMBL9929570 0.73 BAZ2B (0.43) BAZ2B
SCHEMBL15769402 0.73 HTR6 (0.37) HDAC1HTR6
SCHEMBL1005049 0.73 BAZ2B (0.46) MCHR1EGLN1BAZ2BHDAC1HDAC6
SCHEMBL3475264 0.72 BAZ2B (0.44) MCHR1EGLN1BAZ2BMCL1HDAC6
SCHEMBL1004240 0.71 GRM5 (0.46) MCHR1EGLN1BAZ2BMCL1HDAC1
SCHEMBL3475378 0.71 EGLN1 (0.37) EGLN1BAZ2BMCL1HDAC1HDAC6
SCHEMBL1006124 0.71 BAZ2B (0.40) MCHR1EGLN1BAZ2BMCL1HTR5A

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-8697700-B2 Piperazinone-substituted tetrahydro-carboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-15 US disclosed
WO-2012088038-A2 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-28 WO disclosed
US-20120157469-A1 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE 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-20120157469-A1 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC1R MCHR1 1/4885EGLN1 311/4885BAZ2B 1861/4885

“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.