SCHEMBL3268052

SCHEMBL3268052

[O]CCOc1cccc2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
MAPT P10636 5/20 0.66
LMNA P02545 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPC1 O15118 4/20 0.62
KDM4E B2RXH2 5/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 2/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
POLB P06746 2/20 0.57
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GLRA3 O75311 1/20 0.56
GLRB P48167 1/20 0.56

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
SCHEMBL3266547 0.91 RAB9A (0.65) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL9302662 0.86 RAB9A (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL29357142 0.84 KDM4E (0.79) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL6031547 0.84 KDM4E (0.79) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL9397239 0.82 RAB9A (0.67) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL2487385 0.82 MAPT (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL5807624 0.82 LMNA (0.69) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL10460812 0.82 RAB9A (0.71) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL2485504 0.82 MAPT (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL334906 0.82 MAPT (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1

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 RAB9A 905/4885MAPT 3977/4885LMNA 3306/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 RAB9A 905/4885MAPT 3977/4885LMNA 3306/4885

“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.