SCHEMBL29633126

SCHEMBL29633126

N#Cc1ccc(OC2CCC(Oc3ccc(C#N)nc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
EPHX2 P34913 3/20 0.43
GPR119 Q8TDV5 1/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
PRKAA2 P54646 1/20 0.41

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
SCHEMBL22138855 1.00 HRH3 (0.55) HRH3EPHX2GPR119GRIN1GRIN2B
SCHEMBL28668218 1.00 HRH3 (0.55) HRH3EPHX2GPR119GRIN1GRIN2B
SCHEMBL31003122 0.92 HRH3 (0.42) HRH3GPR119
SCHEMBL5024491 0.85 HRH3 (0.71) HRH3EPHX2GPR119FPR2PROKR1
SCHEMBL22138868 0.85 HRH3 (0.71) HRH3EPHX2GPR119FPR2PROKR1
SCHEMBL21606953 0.84 HRH1 (0.49) HRH3
SCHEMBL2585740 0.84 HRH3 (0.46) HRH3
SCHEMBL2584697 0.84 HRH3 (0.46) HRH3
SCHEMBL29601203 0.81 CHEK1 (0.53) HRH3
SCHEMBL30826879 0.79 CYP19A1 (0.63) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2025-12-25 US disclosed
CN-113766914-B Pentaneamidine analogues and uses thereof 美商奥润沙公司 2024-02-13 CN disclosed
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. 2022-05-12 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-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR MALT1, SLC38A7, SLC7A1 HRH3 474/4885EPHX2 4280/4885GPR119 1064/4885
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR DPYD, TYMP, GOT1 HRH3 2911/4885EPHX2 4438/4885GPR119 1648/4885

“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.