SCHEMBL21047718

SCHEMBL21047718

O=C1CCN(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 6/20 0.42
KDM4E B2RXH2 4/20 0.42
HTR6 P50406 2/20 0.42
HTR1A P08908 2/20 0.42
ALOX15 P16050 2/20 0.42
POLB P06746 1/20 0.42
SLC6A4 P31645 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
GAA P10253 1/20 0.42
IDO1 P14902 3/20 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
SCHEMBL21047574 0.90 CYP2A6 (0.41) BCHECYP2D6LMNAKDM4EHTR6
SCHEMBL6407264 0.86 LMNA (0.51) BCHECYP2D6LMNAKDM4EHTR6
SCHEMBL2782013 0.82 LMNA (0.51) BCHECYP2D6LMNAKDM4EHTR6
SCHEMBL21047732 0.81 ALDH1A1 (0.41) BCHECYP2D6LMNAKDM4EHTR6
SCHEMBL1413377 0.81 HTT (0.54) BCHECYP2D6LMNAKDM4EHTR6
SCHEMBL1442314 0.79 HTR6 (0.63) CYP2D6LMNAKDM4EHTR6HTR1A
Hydrochloric Acid SCHEMBL11852231 0.79 JAK2 (0.55) BCHECYP2D6LMNAKDM4EHTR6
SCHEMBL1413397 0.78 HTR6 (0.56) LMNAKDM4EHTR6HTR1AALOX15
SCHEMBL1413396 0.78 ALDH1A1 (0.55) CYP2D6LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL7548171 0.78 BCHE (0.44) BCHECYP2D6LMNAKDM4EHTR6

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 2232/4885CYP2D6 1282/4885LMNA 697/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS BCHE 2232/4885CYP2D6 1282/4885LMNA 697/4885

“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.