SCHEMBL21047840

SCHEMBL21047840

O=C1CCC(N(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNA3 P22001 1/20 0.39
CCR5 P51681 6/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL14640497 0.82 SLC6A2 (0.45) SLC6A2SLC6A4KCNA3CCR5OPRM1
SCHEMBL11788207 0.82 SLC6A2 (0.45) SLC6A2SLC6A4KCNA3CCR5OPRM1
SCHEMBL30036856 0.80 KCNA3 (0.47) SLC6A2SLC6A4KCNA3CCR5OPRM1
Hydrochloric Acid SCHEMBL11789965 0.80 SLC6A2 (0.44) SLC6A2SLC6A4KCNA3CCR5OPRM1
SCHEMBL16588792 0.78 CA1 (0.35) SLC6A2SLC6A4KCNA3CCR5OPRM1
SCHEMBL218047 0.78 KCNA3 (0.50) SLC6A2SLC6A4KCNA3CCR5ALDH1A1
SCHEMBL16588653 0.76 SLC6A2 (0.35) SLC6A2SLC6A4KCNA3CCR5OPRM1
SCHEMBL14741953 0.76 CA1 (0.41) SLC6A2SLC6A4KCNA3CCR5ALDH1A1
SCHEMBL616634 0.76 KCNA3 (0.53) SLC6A2SLC6A4KCNA3CCR5ALDH1A1
SCHEMBL7701226 0.74 SLC6A2 (0.41) SLC6A2SLC6A4KCNA3CCR5OPRM1

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 6 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
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN 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
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 CN 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 SLC6A2 4431/4885SLC6A4 3063/4885KCNA3 58/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS SLC6A2 4431/4885SLC6A4 3063/4885KCNA3 58/4885

“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.