SCHEMBL3267910

SCHEMBL3267910

Clc1cncc(OCc2cc(C#Cc3ccccc3)cs2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRM5 P41594 7/20 0.33
SQLE Q14534 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32

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
SCHEMBL1134458 0.72 HTR2A (0.43) HDAC6GRM5PLAU
SCHEMBL3266824 0.69 MAOB (0.47) HDAC6
SCHEMBL3266595 0.68 KCNA3 (0.44)
SCHEMBL3266319 0.68 CYP2A6 (0.43)
SCHEMBL6285396 0.68 GRM5 (0.60) GRM5
SCHEMBL3267930 0.67 IDO1 (0.42)
SCHEMBL3268390 0.67 KCNA3 (0.52) HDAC1HDAC6
SCHEMBL3266814 0.67 KCNA3 (0.47) HDAC1HDAC6
SCHEMBL3272326 0.66 MAPK1 (0.48)
SCHEMBL3272371 0.66 KCNA3 (0.50) HDAC1HDAC6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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 (2 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CHRNB2 943/4885CHRNA4 1984/4885HDAC1 666/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CHRNB2 943/4885CHRNA4 1984/4885HDAC1 666/4885

“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.