SCHEMBL3266319

SCHEMBL3266319

Clc1cncc(OCc2csc3ccccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
AKT1 P31749 3/20 0.37
CHRNA7 P36544 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 1/20 0.34
DRD2 P14416 5/20 0.34
DRD3 P35462 5/20 0.34
DRD4 P21917 3/20 0.34
HTR1A P08908 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
POLB P06746 1/20 0.33
BDKRB2 P30411 1/20 0.33
ALDH1A1 P00352 1/20 0.33
JUN P05412 1/20 0.32
MAPK8 P45983 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
SCHEMBL3266323 0.76 HTR2C (0.54) CHRNA7SMN1; SMN2CRHBPCRHR2MAPT
SCHEMBL3270337 0.73 IDO1 (0.42) SMN1; SMN2MAPT
SCHEMBL1134458 0.72 HTR2A (0.43) DRD3HTR1AHTR2A
SCHEMBL3272652 0.71 IDO1 (0.45) SMN1; SMN2HTR1A
SCHEMBL3267708 0.70 HTR1A (0.44) DRD2DRD3HTR1AHTR2A
SCHEMBL5319440 0.69 CYP2A6 (0.64) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL3268361 0.69 FFAR1 (0.42) HTR2AALDH1A1
SCHEMBL3267930 0.68 IDO1 (0.42) MAPTDRD3HTR1AHTR2APOLB
SCHEMBL3267910 0.68 CHRNB2 (0.33)
SCHEMBL3266222 0.68 CNR1 (0.36) MAPTDRD2DRD3DRD4HTR1A

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 CYP2A6 169/4885AKT1 3196/4885CHRNA7 1600/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CYP2A6 169/4885AKT1 3196/4885CHRNA7 1600/4885

“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.