SCHEMBL5742391

SCHEMBL5742391

CC#Cc1cccc(C#CC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRM1 Q13255 1/20 0.43

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
SCHEMBL23085539 0.89 SOS2 (0.40) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL22846483 0.89 GRM5 (0.37) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL23075939 0.85 GRM5 (0.62) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL9137033 0.84 GRM5 (0.37) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL9949090 0.84 GRM5 (0.37) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17039219 0.84 NOS3 (0.46) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL23707308 0.80 GRM5 (0.36) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL23704126 0.80 GRM5 (0.39) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL23081677 0.79 IDH1 (0.42)
SCHEMBL29994968 0.79 IDH1 (0.42)

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
EP-1368317-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2006-12-27 EP disclosed
US-7060716-B2 Compound containing two triple bonds ALTANA PHARMA AG (DE) 2006-06-13 US disclosed
US-20040067943-A1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2004-04-08 US disclosed
EP-1368317-A1 TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-12-10 EP disclosed
WO-2002066430-A1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2002-08-29 WO 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-20040067943-A1 Tryptase inhibitors TPSB2, TPSAB1, TPSG1 GRM5 2829/4885NPC1 2134/4885RAB9A 3223/4885

“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.