SCHEMBL3754209

SCHEMBL3754209

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.58
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ESR1 P03372 1/20 0.52
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
SCHEMBL3749723 0.83 P2RX7 (0.58) P2RX7EPHX2CA2
SCHEMBL3744066 0.83 P2RX7 (0.63) P2RX7EPHX2
SCHEMBL2203707 0.80 HDAC1 (0.57) P2RX7EPHX2CA2
SCHEMBL3744090 0.80 P2RX7 (0.52) P2RX7EPHX2CA2
SCHEMBL3749708 0.79 P2RX7 (0.51) P2RX7EPHX2CA2
SCHEMBL3740337 0.74 P2RX7 (0.60) P2RX7EPHX2CA2
SCHEMBL17483924 0.74 P2RX7 (0.75) P2RX7EPHX2CA2
SCHEMBL7570190 0.73 P2RX7 (1.00) P2RX7
SCHEMBL3454922 0.72 P2RX7 (1.00) P2RX7EPHX2CA2
SCHEMBL7571956 0.71 P2RX7 (1.00) P2RX7EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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
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 268/4885GAA 1334/4885NPSR1 113/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885GAA 1334/4885NPSR1 113/4885

“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.