SCHEMBL4316239

SCHEMBL4316239

CC1CN(c2nccnc2OCCOc2ccc[n+]([O-])c2)CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.36
CHRM4 P08173 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
SMO Q99835 5/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RBP4 P02753 1/20 0.34
KIT P10721 1/20 0.33
LIMK2 P53671 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL4316244 0.79 L3MBTL1 (0.37) TRPV1PDGFRBGPR84
SCHEMBL4313549 0.74 HTR2C (0.43) GPR84
SCHEMBL7718355 0.69 SLC6A7 (0.38) NPC1RAB9ALIMK2
SCHEMBL5240543 0.67 SLC6A7 (0.44) GRM1TRPV1SMORBP4
SCHEMBL4258832 0.67 TRPV1 (0.55) GRM1TRPV1SMORBP4HSD11B1
SCHEMBL4258836 0.67 TRPV1 (0.55) GRM1TRPV1SMORBP4HSD11B1
SCHEMBL2638686 0.67 GPR119 (0.46) GRM1TRPV1SMOGPR119
SCHEMBL4312056 0.67 MAPT (0.46) KIT
SCHEMBL20140997 0.66 GRM1 (0.47) GRM1TRPV1SMORBP4HSD11B1
SCHEMBL7718358 0.66 KDM4E (0.43) CHRM4

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
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A GRM1 251/4885CHRM4 420/4885TRPV1 194/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A GRM1 225/4885CHRM4 418/4885TRPV1 211/4885

“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.