SCHEMBL3266850

SCHEMBL3266850

CN(C)c1ccc(CCOc2cncc(Cl)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 2/20 0.40
CALM1 P0DP23 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APP P05067 4/20 0.35
MAPKAPK2 P49137 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CNR2 P34972 1/20 0.33
CHKA P35790 1/20 0.33
CHKB Q9Y259 1/20 0.33
CNR1 P21554 1/20 0.33
NOX3 Q9HBY0 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
NOX1 Q9Y5S8 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
SCHEMBL3267897 0.82 MEN1 (0.41) CALM1ALDH1A1CYP3A4HTR2CHTR2B
SCHEMBL3266637 0.76 PLK1 (0.45) ALDH1A1CYP3A4TSHR
SCHEMBL3267977 0.75 CTRC (0.38) HTR2AHTR2CHTR2B
SCHEMBL3267072 0.74 HTR2C (0.59) ELOVL1ALDH1A1CYP3A4TSHRHTR2A
SCHEMBL3272705 0.74 CHRNA7 (0.44) ELOVL1CYP3A4TDP1
SCHEMBL3272793 0.73 HTR2C (0.46) CYP3A4HTR2AHTR2CHTR2B
SCHEMBL3272689 0.73 GRM5 (0.46) APPHTR2AHTR2CHTR2B
SCHEMBL3270815 0.72 TAAR1 (0.46) ALDH1A1CYP3A4MAPK1HTR2CHTR2B
SCHEMBL4437979 0.72 CDK2 (0.38) ALDH1A1CYP3A4TDP1HTR2AHTR2C
SCHEMBL7207204 0.71 HTR2C (0.42) ELOVL1HTR2CHTR2B

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 ELOVL1 1630/4885CALM1 2757/4885ALDH1A1 288/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ELOVL1 1630/4885CALM1 2757/4885ALDH1A1 288/4885

“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.