SCHEMBL4352235

SCHEMBL4352235

O=C(NCC1(c2ccc(Cl)c(F)c2)CCCCC1)c1cn(-c2ncccn2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.45
SLC6A4 P31645 2/20 0.45
P2RX7 Q99572 15/20 0.43
IL1B P01584 1/20 0.42
HTR3A P46098 1/20 0.40
SLC6A2 P23975 1/20 0.39

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
SCHEMBL3689141 0.89 P2RX7 (0.46) SLC6A3SLC6A4P2RX7IL1B
SCHEMBL3642205 0.88 P2RX7 (0.49) P2RX7IL1BHTR3A
SCHEMBL3645106 0.88 MEN1 (0.44) SLC6A3SLC6A4P2RX7IL1BHTR3A
SCHEMBL11885553 0.86 SLC6A3 (0.49) SLC6A3SLC6A4P2RX7SLC6A2
SCHEMBL3640156 0.84 P2RX7 (0.46) P2RX7IL1BHTR3A
SCHEMBL3675596 0.83 P2RX7 (0.50) SLC6A3SLC6A4P2RX7IL1BHTR3A
SCHEMBL11885564 0.82 P2RX7 (0.46) P2RX7IL1B
SCHEMBL3645568 0.82 P2RX7 (0.58) P2RX7IL1BHTR3A
SCHEMBL3643280 0.82 P2RX7 (0.50) P2RX7IL1BHTR3A
SCHEMBL3647578 0.81 P2RX7 (0.59) P2RX7IL1BHTR3A

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
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 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 (1 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A SLC6A3 88/4885SLC6A4 615/4885P2RX7 5/4885

“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.