SCHEMBL3272808

SCHEMBL3272808

CC(Oc1cncc(Cl)n1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.35
CDK2 P24941 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDH2 P48735 1/20 0.30

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
SCHEMBL31080536 0.85 PDE2A (0.30)
SCHEMBL4432008 0.83 CDK2 (0.40) CDK2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3661285 0.77 CDK2 (0.38) CDK2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL31080635 0.75 CDK2 (0.36) CDK2
SCHEMBL31080954 0.72 PDE4D (0.34)
SCHEMBL25259907 0.72 CDK2 (0.40) CDK2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL28195804 0.71 CHRM2 (0.40) KDM4EKMT2A
SCHEMBL20780129 0.71 MCHR1 (0.35) CDK2
SCHEMBL3267723 0.71 HTR2C (0.58) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL20772699 0.71 CDK2 (0.39) IDH1CDK2KDM4EMEN1ALDH1A1

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 IDH1 3440/4885CDK2 602/4885KDM4E 1971/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 IDH1 3440/4885CDK2 602/4885KDM4E 1971/4885

“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.