SCHEMBL9931472

SCHEMBL9931472

O=C(O)N1CCn2c(nc3cc(Br)ccc32)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
GRM2 Q14416 3/20 0.43
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9968767 0.82 NR1H2 (0.44) TSHRALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL14953233 0.82 ALDH1A1 (0.50) TSHRALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL20141475 0.80 TSHR (0.77) TSHRALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL30138914 0.77 NPC1 (0.48) TSHRALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL26683906 0.75 SIGMAR1 (0.47)
SCHEMBL26683837 0.72 SIGMAR1 (0.46)
SCHEMBL10010617 0.72 MAPT (0.61) ALDH1A1MAPTSMN1; SMN2POLBGRM2
SCHEMBL25419579 0.72 NR1H2 (0.44) TSHRALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL30138845 0.72 NR1H2 (0.44) TSHRALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL1426313 0.71 MEN1 (0.62) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB

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-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
WO-2012088124-A2 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-28 WO 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 TSHR 100/4885ALDH1A1 799/4885HTT 268/4885

“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.