SCHEMBL5743348

SCHEMBL5743348

CC#Cc1ccnc(C#CC)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 2/20 0.36
GRM5 P41594 3/20 0.33
BACE1 P56817 3/20 0.32
MAP3K14 Q99558 2/20 0.32
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
PARP1 P09874 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
HAO1 Q9UJM8 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
SCHEMBL17761607 0.78 UHRF1 (0.48) CYP1A1CYP1A2CYP1B1GRM5FFAR1
SCHEMBL17039214 0.77 LOXL2 (0.35) GRM5BACE1MAPT
SCHEMBL29994323 0.77 LOXL2 (0.35) GRM5BACE1MAPT
SCHEMBL9947880 0.77 FFAR1 (0.46) CYP1A1CYP1A2CYP1B1GRM5FFAR1
SCHEMBL9948329 0.77 KDM4E (0.38) CYP1A2BACE1
SCHEMBL931687 0.77 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1BACE1FFAR1
SCHEMBL30477794 0.77 KDM4E (0.38) CYP1A2BACE1
SCHEMBL23704304 0.74 CCR1 (0.53) CYP1A1CYP1A2CYP1B1GRM5
SCHEMBL10038829 0.74 NOS3 (0.50) CYP1A2BACE1MAP3K14
SCHEMBL931599 0.74 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1BACE1

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 CYP1A1 955/4885CYP1A2 519/4885CYP1B1 644/4885

“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.