SCHEMBL9929442

SCHEMBL9929442

O=C1CN(c2ccc(C(F)(F)F)cn2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.50
KDM4E B2RXH2 4/20 0.49
LMNA P02545 4/20 0.49
ABL1 P00519 1/20 0.49
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46
SCN7A Q01118 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
APAF1 O14727 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL14349622 0.86 HPGDS (0.45) HPGDSKDM4EMAPTSMN1; SMN2GAA
SCHEMBL17128308 0.84 HPGDS (0.48) HPGDSKDM4ELMNAABL1MAPT
SCHEMBL25075257 0.81 AOC3 (0.44) HPGDSSCN7AKCNH2SCN9A
SCHEMBL30101389 0.79 ADRB1 (0.60) KDM4ELMNAABL1HTTL3MBTL1
SCHEMBL231823 0.79 ADRB1 (0.60) KDM4ELMNAABL1HTTL3MBTL1
SCHEMBL17035908 0.79 ADRB1 (0.60) KDM4ELMNAABL1HTTL3MBTL1
SCHEMBL9963945 0.78 GRIN2D (0.51) HPGDS
SCHEMBL31074188 0.78 TDO2 (0.48) KDM4ELMNAABL1HTTL3MBTL1
SCHEMBL12184922 0.78 GRIN2D (0.51) HPGDSKDM4E
SCHEMBL15205734 0.78 GRIN2D (0.51) HPGDS

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 5 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
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
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 HPGDS 1248/4885KDM4E 1261/4885LMNA 4172/4885

“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.