SCHEMBL8216154

SCHEMBL8216154

C[C@H](O)[C@@H](N)C(=O)Nc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HTT P42858 1/20 0.51
SPHK1 Q9NYA1 4/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
NLRP3 Q96P20 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL16357102 1.00 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TAAR1HTT
SCHEMBL8216164 1.00 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TAAR1HTT
SCHEMBL400176 0.90 TAAR1 (0.53) RAB9ANPC1SMN1; SMN2TAAR1HTT
SCHEMBL402415 0.86 TAAR1 (0.69) RAB9ANPC1SMN1; SMN2TAAR1HTT
SCHEMBL14546953 0.86 TAAR1 (0.57) RAB9ASMN1; SMN2TAAR1HTTSPHK1
SCHEMBL8417813 0.83 TAAR1 (0.73) RAB9ANPC1SMN1; SMN2TAAR1SPHK1
SCHEMBL8417807 0.83 TAAR1 (0.73) RAB9ANPC1SMN1; SMN2TAAR1SPHK1
SCHEMBL5803556 0.80 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TAAR1HTT
SCHEMBL8243900 0.79 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2TAAR1HTT
SCHEMBL8212481 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TAAR1HTT

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-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 RAB9A 1661/4885NPC1 481/4885SMN1; SMN2 2291/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF RAB9A 2283/4885NPC1 477/4885SMN1; SMN2 1570/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI RAB9A 922/4885NPC1 415/4885SMN1; SMN2 2646/4885

“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.