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SCHEMBL6163471

SCHEMBL6163471

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ RAB9A P51151 3/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL6162108 1.00 TRPV1 (0.51) TRPV1KDM4ERAB9AKMT2APOLB
SCHEMBL6163748 1.00 TRPV1 (0.51) TRPV1KDM4ERAB9AKMT2APOLB
SCHEMBL6162814 0.92 TRPV1 (0.47) TRPV1KDM4ERAB9AKMT2APOLB
SCHEMBL6163328 0.92 TRPV1 (0.47) TRPV1KDM4ERAB9AKMT2APOLB
SCHEMBL6162802 0.92 TRPV1 (0.47) TRPV1KDM4ERAB9AKMT2APOLB
SCHEMBL6163696 0.90 SLC22A12 (0.46) TRPV1KDM4ERAB9AKMT2AGAA
SCHEMBL6165298 0.90 SLC22A12 (0.46) TRPV1KDM4ERAB9AKMT2AGAA
SCHEMBL6163092 0.90 SLC22A12 (0.46) TRPV1KDM4ERAB9AKMT2AGAA
SCHEMBL6163206 0.90 KDM4E (0.59) TRPV1KDM4ERAB9AKMT2APOLB
SCHEMBL6161828 0.90 KDM4E (0.59) TRPV1KDM4ERAB9AKMT2APOLB

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 10 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
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 — — EP disclosed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 — — US disclosed
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
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 — — 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 613/4885RAB9A 628/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 TRPV1 1234/4885KDM4E 613/4885RAB9A 628/4885

“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.