SCHEMBL3266491

SCHEMBL3266491

Clc1cncc(Cc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CDK2 P24941 2/20 0.44
CALM1 P0DP23 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SCD O00767 1/20 0.39
POLB P06746 1/20 0.37
BRD4 O60885 2/20 0.36
CTRC Q99895 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TLR8 Q9NR97 1/20 0.36
P2RX7 Q99572 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL9391584 0.77 GRM4 (0.43) ALDH1A1CDK2CALM1TAAR1HRH3
SCHEMBL19308315 0.77 TP53 (0.43) ALDH1A1CALM1TAAR1HRH3SCD
SCHEMBL13562461 0.77 SCD (0.44) ALDH1A1CALM1TAAR1HRH3SCD
SCHEMBL22576217 0.76 ALDH1A1 (0.55) ALDH1A1CALM1POLBBRD4RAB9A
SCHEMBL3404366 0.74 ALDH1A1 (0.53) ALDH1A1CALM1POLBBRD4RAB9A
SCHEMBL13561331 0.74 SCD (0.40) ALDH1A1CALM1TAAR1HRH3SCD
SCHEMBL23406320 0.73 SCD (0.39) ALDH1A1CALM1TAAR1HRH3SCD
SCHEMBL28291166 0.73 BRD4 (0.50) ALDH1A1SCDBRD4TDP1
SCHEMBL25171180 0.71 ALDH1A1 (0.53) ALDH1A1CALM1TAAR1HRH3RAB9A
SCHEMBL28220987 0.70 ALDH1A1 (0.44) ALDH1A1L3MBTL1TLR8

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 8 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
WO-1994026715-A1 AMIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-11-24 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 ALDH1A1 288/4885CDK2 602/4885CALM1 2757/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ALDH1A1 288/4885CDK2 602/4885CALM1 2757/4885

“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.