SCHEMBL6166481

SCHEMBL6166481

O=C(N1CCCC1)C1(c2ccccc2)C=Cc2cnccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ CHRM4 P08173 1/20 0.32

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
SCHEMBL5457547 0.67 FAAH (0.31) —
SCHEMBL5090090 0.61 KDM4C (0.31) ALDH1A1
SCHEMBL3129900 0.61 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL20663619 0.59 GAA (0.31) —
SCHEMBL16507207 0.59 MEN1 (0.93) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL6896465 0.59 MEN1 (1.00) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL8919562 0.59 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4630666 0.59 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL8331178 0.58 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
Water SCHEMBL6544001 0.58 HSD11B1 (0.77) HSD11B1MEN1KMT2AALDH1A1LMNA

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 4 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
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

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 HSD11B1 741/4885MEN1 4655/4885KMT2A 968/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 HSD11B1 741/4885MEN1 4655/4885KMT2A 968/4885

“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.

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