SCHEMBL3730219

SCHEMBL3730219

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.56
EPHX2 P34913 2/20 0.51
CA2 P00918 1/20 0.49

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
SCHEMBL3315499 0.78 PABPC1 (0.54)
SCHEMBL13727383 0.74 P2RX7 (0.58) P2RX7EPHX2
SCHEMBL3021583 0.73 P2RX7 (0.57) P2RX7EPHX2CA2
SCHEMBL13043108 0.73 P2RX7 (0.59) P2RX7
SCHEMBL14764889 0.72 P2RX7 (0.73) P2RX7EPHX2CA2
SCHEMBL4500841 0.72 P2RX7 (0.59) P2RX7
SCHEMBL22372103 0.72 HIF1A (0.48)
SCHEMBL3454922 0.72 P2RX7 (1.00) P2RX7EPHX2CA2
SCHEMBL6084856 0.71 P2RX7 (0.58) P2RX7
SCHEMBL17483924 0.71 P2RX7 (0.75) P2RX7EPHX2CA2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104844578-B 5 membered heterocyclic amides and relevant compound H.隆德贝克有限公司 2018-06-19 CN disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
CN-104844578-A 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS NEUROGEN CORP 2015-08-19 CN disclosed
CN-101711245-B 5-membered heterocyclic amides and related compounds LUNDBECK & CO AS H 2015-03-25 CN disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
CN-101711245-A 5-membered heterocyclic amides and related compounds NEUROGEN CORP 2010-05-19 CN disclosed
EP-2178865-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS Lundbeck, H., A/S (DK) 2010-04-28 EP disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 WO disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885EPHX2 2701/4885CA2 3303/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885EPHX2 2701/4885CA2 3303/4885

“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.