SCHEMBL3268085

SCHEMBL3268085

Clc1cncc(OCCCc2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
HRH4 Q9H3N8 2/20 0.43
HRH1 P35367 2/20 0.43
CYP1A2 P05177 2/20 0.41
KCNH2 Q12809 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GRM5 P41594 2/20 0.38
NAAA Q02083 2/20 0.38
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3266814 0.76 KCNA3 (0.47) HRH3TAAR1ALDH1A1
SCHEMBL3268390 0.76 KCNA3 (0.52) HRH3KCNH2SMN1; SMN2LMNATAAR1
SCHEMBL3272371 0.75 KCNA3 (0.50) HRH3
SCHEMBL3266595 0.74 KCNA3 (0.44) HRH3LMNATAAR1ALDH1A1
SCHEMBL3272351 0.74 HTR2C (0.63) CYP2D6CYP3A4CYP2C9HRH3HRH4
SCHEMBL3272705 0.72 CHRNA7 (0.44) CYP2D6CYP3A4CYP2C9HRH3HRH4
SCHEMBL7445422 0.72 HRH1 (0.58) CYP2D6CYP3A4CYP2C9HRH3HRH4
SCHEMBL16440211 0.72 NPC1 (0.40) CYP2D6CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL3266761 0.71 TDP1 (0.49) HRH3HRH1SMN1; SMN2
SCHEMBL3270455 0.71 HTR2A (0.46) CYP2D6CYP3A4CYP2C9HRH1CYP1A2

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 CYP2D6 75/4885CYP3A4 295/4885CYP2C9 488/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CYP2D6 75/4885CYP3A4 295/4885CYP2C9 488/4885

“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.