SCHEMBL3267930

SCHEMBL3267930

Clc1cncc(OCc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
SMPD1 P17405 1/20 0.41
GSTP1 P09211 1/20 0.40
FFAR1 O14842 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PRMT5 O14744 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
IKBKB O14920 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 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
SCHEMBL1134458 0.91 HTR2A (0.43) PRMT5HTR2AHTR2CHTR2BCYP2C19
SCHEMBL3266824 0.87 MAOB (0.47) PRMT5CYP2C19CYP1A2MAPT
SCHEMBL3272342 0.85 CYP2D6 (0.42) FFAR1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL1134473 0.81 MEN1 (0.41) IDO1AGXTKMT2AMEN1POLB
SCHEMBL3272326 0.80 MAPK1 (0.48) FFAR1KMT2AMEN1HTR2AHTR2C
SCHEMBL4265760 0.80 CYP11B2 (0.48) IDO1CYP2C19CYP1A2MAPTGABRG2
SCHEMBL1993092 0.79 PDE2A (0.47) IDO1AGXTKMT2AMEN1POLB
SCHEMBL3270431 0.78 MAOB (0.44) IDO1KMT2A
SCHEMBL3266840 0.77 HTR1A (0.44) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL1122251 0.76 HTT (0.44) KMT2AMEN1CYP2C19CYP1A2MAPT

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 5 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
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

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 IDO1 1437/4885AGXT 49/4885SMPD1 1570/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 IDO1 1437/4885AGXT 49/4885SMPD1 1570/4885

“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.