SCHEMBL3267977

SCHEMBL3267977

Clc1cncc(OCCc2ccc3ccccc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PDE10A Q9Y233 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL3266761 0.82 TDP1 (0.49) HRH3
SCHEMBL3272793 0.82 HTR2C (0.46) HTR2AHTR2CHTR2BSIGMAR1BACE1
SCHEMBL3270815 0.80 TAAR1 (0.46) HTR2CHTR2BSIGMAR1CYP1A2HRH3
SCHEMBL7207204 0.80 HTR2C (0.42) HTR2CHTR2B
SCHEMBL3267897 0.79 MEN1 (0.41) HTR2CHTR2BCYP1A2CYP2D6CYP2C9
SCHEMBL3266637 0.78 PLK1 (0.45) CYP1A2CYP2D6
SCHEMBL3272705 0.77 CHRNA7 (0.44) CYP1A2CYP2A6HRH3CYP2D6CYP2C9
SCHEMBL3266595 0.76 KCNA3 (0.44) HRH3
SCHEMBL3266850 0.75 ELOVL1 (0.40) HTR2AHTR2CHTR2B
SCHEMBL3268390 0.75 KCNA3 (0.52) HRH3

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 CTRC 4684/4885HTR2A 1308/4885HTR2C 916/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CTRC 4684/4885HTR2A 1308/4885HTR2C 916/4885

“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.