SCHEMBL3811536

SCHEMBL3811536

Cc1nn(-c2nccnc2N)cc1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.46
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
IL1B P01584 2/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.39
SLC6A2 P23975 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3748060 0.86 P2RX7 (0.49) P2RX7SLC6A3SLC6A4IL1BCHRNB2
SCHEMBL3738255 0.85 P2RX7 (0.45) P2RX7SLC6A3SLC6A4IL1BCHRNB2
SCHEMBL3736818 0.85 P2RX7 (0.46) P2RX7SLC6A3SLC6A4IL1B
SCHEMBL3755857 0.84 P2RX7 (0.44) P2RX7SLC6A3SLC6A4IL1BCHRNB2
SCHEMBL3744067 0.82 P2RX7 (0.45) P2RX7SLC6A3SLC6A4IL1BCHRNB2
SCHEMBL3738862 0.78 P2RX7 (0.51) P2RX7IL1BLMNA
SCHEMBL3756062 0.77 P2RX7 (0.44) P2RX7SLC6A3SLC6A4IL1BPOLB
SCHEMBL3748101 0.76 P2RX7 (0.49) P2RX7SLC6A3SLC6A4IL1BLMNA
SCHEMBL3741816 0.76 P2RX7 (0.43) P2RX7SLC6A3SLC6A4IL1BCHRNB2
SCHEMBL3742650 0.76 P2RX7 (0.53) P2RX7SLC6A3SLC6A4IL1BLMNA

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
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP claimed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US claimed
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
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

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 268/4885SLC6A3 3028/4885SLC6A4 2215/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885SLC6A3 3028/4885SLC6A4 2215/4885

“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.