SCHEMBL3268080

SCHEMBL3268080

COc1ccc2ccc(OCCOc3cncc(Cl)n3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.45
CYP11B1 P15538 11/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.42
PPARG P37231 1/20 0.42
CYP17A1 P05093 3/20 0.41
CYP2A6 P11509 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 2/20 0.39

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
SCHEMBL3266762 0.97 CYP11B1 (0.47) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3266761 0.83 TDP1 (0.49) RAB9APPARGKDM4EMAPK1TDP1
SCHEMBL3267897 0.78 MEN1 (0.41) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3270815 0.76 TAAR1 (0.46) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3267033 0.75 HTR1A (0.53) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3266595 0.75 KCNA3 (0.44) RAB9A
SCHEMBL3266196 0.75 IDO1 (0.49)
SCHEMBL1993092 0.74 PDE2A (0.47) RAB9A
SCHEMBL14930516 0.74 CYP1A2 (0.54) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3266839 0.73 MAOB (0.49) RAB9A

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 CYP11B2 23/4885CYP11B1 28/4885CYP1A2 24/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CYP11B2 23/4885CYP11B1 28/4885CYP1A2 24/4885

“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.