SCHEMBL21047796

SCHEMBL21047796

O=C1CCN(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
HTR3A P46098 2/20 0.59
TP53 P04637 1/20 0.57
TRPC3 Q13507 1/20 0.55
HDAC11 Q96DB2 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
NPY5R Q15761 2/20 0.50
HRH4 Q9H3N8 1/20 0.49
AURKA O14965 1/20 0.49
HTR2B P41595 1/20 0.48
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
SORD Q00796 1/20 0.46

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
SCHEMBL21047630 0.91 BCHE (0.66) BCHEACHEHTR3ATP53TRPC3
SCHEMBL21047636 0.91 BCHE (0.69) BCHEACHEHTR3ATP53TRPC3
SCHEMBL23771247 0.82 HDAC11 (0.63) BCHEACHEHTR3ATP53TRPC3
SCHEMBL4941906 0.78 BCHE (0.56) BCHEACHEHTR3ATP53TRPC3
SCHEMBL4941909 0.78 BCHE (0.56) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2674037 0.77 BCHE (0.90) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2676103 0.77 BCHE (0.96) BCHEACHEHTR3ATP53TRPC3
SCHEMBL717865 0.76 BCHE (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2241920 0.76 BCHE (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL4674485 0.74 BCHE (0.73) BCHEACHEHTR3ATP53TRPC3

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
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS BCHE 2232/4885ACHE 4022/4885HTR3A 3522/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS BCHE 2232/4885ACHE 4022/4885HTR3A 3522/4885

“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.