SCHEMBL3266595

SCHEMBL3266595

Clc1cncc(OCCOc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.44
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
RECQL P46063 1/20 0.40
CDK2 P24941 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3266814 0.95 KCNA3 (0.47) KCNA3ALDH1A1TAAR1RECQLCDK2
SCHEMBL3268390 0.95 KCNA3 (0.52) KCNA3ALDH1A1TAAR1RECQLCDK2
SCHEMBL3272371 0.94 KCNA3 (0.50) KCNA3HRH3DRD2DRD4DRD3
SCHEMBL3266761 0.80 TDP1 (0.49) RAB9AHRH3MAPTDRD3NPC1
SCHEMBL11381442 0.79 HTT (0.50) ALDH1A1CDK2GAARAB9AMAPT
SCHEMBL3266824 0.78 MAOB (0.47) LMNAGAARAB9AMAPTL3MBTL1
SCHEMBL1134458 0.78 HTR2A (0.43) CDK2LMNAPKMDRD3L3MBTL1
SCHEMBL3266762 0.77 CYP11B1 (0.47) RAB9ANPC1
SCHEMBL3267977 0.76 CTRC (0.38) HRH3
SCHEMBL11373513 0.76 HTT (0.47) ALDH1A1CDK2RAB9ANPC1TSHR

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 KCNA3 3497/4885ALDH1A1 288/4885TAAR1 1190/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KCNA3 3497/4885ALDH1A1 288/4885TAAR1 1190/4885

“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.