SCHEMBL3753619

SCHEMBL3753619

CCCC(CNC(=O)c1sc(-c2ncccn2)nc1CC)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
FFAR2 O15552 1/20 0.37
PTGFR P43088 2/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
OPRM1 P35372 1/20 0.35
GCGR P47871 2/20 0.35
XDH P47989 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
AKT3 Q9Y243 1/20 0.33

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
SCHEMBL3749704 0.90 P2RX7 (0.47) P2RX7FFAR2PTGFRGAAMAPT
SCHEMBL3742889 0.87 P2RX7 (0.64) P2RX7FFAR2PTGFRGAAMAPT
SCHEMBL3744593 0.81 P2RX7 (0.42) P2RX7PTGFRGAAMAPTOPRM1
SCHEMBL3748773 0.81 EGLN1 (0.47) P2RX7EGLN1
SCHEMBL3743335 0.80 P2RX7 (0.41) P2RX7GAAMAPT
SCHEMBL3743404 0.80 P2RX7 (0.45) P2RX7MAPT
SCHEMBL3749004 0.78 P2RX7 (0.44) P2RX7GAAMAPTGCGR
SCHEMBL3751882 0.76 P2RX7 (0.43) P2RX7GAAMAPT
SCHEMBL13043131 0.76 P2RX7 (0.64) P2RX7FFAR2PTGFRMAPT
SCHEMBL3736884 0.75 TSHR (0.44) P2RX7MAPT

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 268/4885FFAR2 27/4885PTGFR 60/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885FFAR2 27/4885PTGFR 60/4885

“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.