SCHEMBL21047682

SCHEMBL21047682

O=C1CCC(N(CCc2ccccc2)CCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OPRD1 P41143 3/20 0.55
OPRK1 P41145 3/20 0.55
GRIN2B Q13224 4/20 0.55
DRD2 P14416 6/20 0.47
DRD1 P21728 3/20 0.47
DRD3 P35462 3/20 0.47
DRD4 P21917 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL385070 0.82 YTHDC1 (0.54) GRIN2BDRD2DRD3MEN1KMT2A
SCHEMBL10320551 0.82 YTHDC1 (0.54) GRIN2BDRD2DRD3MEN1KMT2A
SCHEMBL16908761 0.81 C5AR1 (0.51) OPRM1OPRD1OPRK1GRIN2BMEN1
SCHEMBL16757238 0.77 SLC6A2 (0.56) OPRM1OPRD1OPRK1GRIN2BMEN1
SCHEMBL10697937 0.76 OPRM1 (0.63) OPRM1OPRD1OPRK1GRIN2BDRD2
SCHEMBL2355874 0.75 GRIN2B (0.60) OPRM1OPRD1OPRK1GRIN2BMEN1
SCHEMBL10700575 0.75 OPRM1 (0.61) OPRM1OPRD1OPRK1GRIN2BMEN1
SCHEMBL7451116 0.74 OPRM1 (0.44) OPRM1OPRD1OPRK1GRIN2BDRD2
SCHEMBL5270225 0.73 KMT2A (0.70) OPRM1OPRD1OPRK1DRD2DRD3
Hydrochloric Acid SCHEMBL9315866 0.73 GRIN2B (0.59) OPRM1OPRD1OPRK1GRIN2BDRD2

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 5 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
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 OPRM1 1846/4885OPRD1 2602/4885OPRK1 1117/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS OPRM1 1846/4885OPRD1 2602/4885OPRK1 1117/4885

“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.