SCHEMBL3243994

SCHEMBL3243994

CCCNc1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.52
TRPA1 O75762 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TLR7 Q9NYK1 1/20 0.47
APP P05067 2/20 0.46
PDE5A O76074 1/20 0.45
ACHE P22303 2/20 0.45
TSHR P16473 1/20 0.45
CDC7 O00311 1/20 0.45
MAPK10 P53779 3/20 0.44
FADS1 O60427 2/20 0.44
ADRA2A P08913 2/20 0.44
CYP3A4 P08684 2/20 0.44
PDPK1 O15530 1/20 0.44
GAA P10253 1/20 0.44
MAPK8 P45983 1/20 0.44
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL1662606 0.89 UTS2R (0.56) UTS2RTRPA1KDM4EACHECDC7
SCHEMBL13996487 0.86 UTS2R (0.50) UTS2RTRPA1KDM4EACHEMAPK10
SCHEMBL3104864 0.83 KDM4E (0.48) TRPA1KDM4EACHEMAPK10FADS1
SCHEMBL10831138 0.82 CDC7 (0.46) UTS2RTRPA1KDM4ETSHRCDC7
SCHEMBL10831906 0.82 GAA (0.51) TRPA1ACHEADRA2AGAA
SCHEMBL10367587 0.81 GAA (0.55) TSHRCDC7GAA
SCHEMBL11087609 0.80 TOP2A (0.52) KDM4EADRA2AGAA
SCHEMBL700943 0.79 TRPA1 (0.50) TRPA1KDM4EACHEMAPK10FADS1
SCHEMBL19505620 0.79 TRPA1 (0.50) TRPA1KDM4EACHEMAPK10FADS1
SCHEMBL10831655 0.78 UTS2R (0.41) UTS2RTRPA1ACHETSHRCDC7

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
EP-1513831-B1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB PUBL (SE) 2010-01-06 EP disclosed
EP-1337518-B1 PIPERAZINYLPYRAZINES COMPOUNDS AS ANTAGONISTS OF SEROTONIN 5-HT2 RECEPTOR BIOVITRUM AB PUBL (SE) 2009-06-17 EP disclosed
CN-100484933-C Novel pyrazine compounds, their use in preparing medicament for treating diseases correlated with serotonin BIOVITRUM AB (SE) 2009-05-06 CN disclosed
CN-100451016-C Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2009-01-14 CN disclosed
CN-1329389-C Novel compounds and their use BIOVITRUM AB (SE) 2007-08-01 CN disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 US disclosed
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1337518-A1 PIPERAZINYLPYRAZINES COMPOUNDS AS ANTAGONISTS OF SEROTONIN 5-HT2 RECEPTOR BIOVITRUM AB (SE) 2003-08-27 EP 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
EP-1301476-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2003-04-16 EP disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
US-20020103204-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-08-01 US disclosed
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-06-06 US disclosed
WO-2002040457-A1 PIPERAZINYLPYRAZINES COMPOUNDS AS ANTAGONISTS OF SEROTONIN 5-HT2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO disclosed
WO-2002008178-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2002-01-31 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 (3 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-20020103204-A1 Novel compounds and their use HTR2C, HTR1A, HTR1B UTS2R 573/4885TRPA1 361/4885KDM4E 2610/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 UTS2R 1958/4885TRPA1 4456/4885KDM4E 1971/4885
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination HTR6, HTR5A, HTR2C UTS2R 512/4885TRPA1 554/4885KDM4E 3885/4885

“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.