SCHEMBL6162814

SCHEMBL6162814

O=C(c1cc(-c2ccc(F)c(Cl)c2)nc2ccccc12)N1CCCC1CO

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 3/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6162802 1.00 TRPV1 (0.47) TRPV1KDM4EPOLBKMT2AGAA
SCHEMBL6163328 1.00 TRPV1 (0.47) TRPV1KDM4EPOLBKMT2AGAA
SCHEMBL6163748 0.92 TRPV1 (0.51) TRPV1KDM4EPOLBKMT2AGAA
SCHEMBL6162108 0.92 TRPV1 (0.51) TRPV1KDM4EPOLBKMT2AGAA
SCHEMBL6163471 0.92 TRPV1 (0.51) TRPV1KDM4EPOLBKMT2AGAA
SCHEMBL6163206 0.88 KDM4E (0.59) TRPV1KDM4EPOLBKMT2AGAA
SCHEMBL6161828 0.88 KDM4E (0.59) TRPV1KDM4EPOLBKMT2AGAA
SCHEMBL6161778 0.88 KDM4E (0.59) TRPV1KDM4EPOLBKMT2AGAA
SCHEMBL6161963 0.86 TRPV1 (0.57) TRPV1KDM4EPOLBSMN1; SMN2RAB9A
SCHEMBL6163232 0.86 TRPV1 (0.57) TRPV1KDM4EPOLBSMN1; SMN2RAB9A

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-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 US claimed
EP-1337523-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2003-08-27 EP claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 US claimed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 US claimed
WO-2002014269-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2002-02-21 WO claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 US 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-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 TRPV1 1234/4885KDM4E 613/4885POLB 1324/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 TRPV1 1234/4885KDM4E 613/4885POLB 1324/4885

“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.