SCHEMBL21047742

SCHEMBL21047742

O=C1CCCN(c2ccc3ccccc3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 7/20 0.53
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
CYP1A2 P05177 2/20 0.53
HTR3A P46098 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
HTR2C P28335 1/20 0.53
MAPK1 P28482 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53

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
SCHEMBL21047759 0.91 KMT2A (0.56) KMT2AHRH3KDM4EALDH1A1HTR3E
SCHEMBL10609190 0.81 HRH3 (0.63) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL28282359 0.81 NPC1 (0.54) KMT2AKDM4EALDH1A1HTR3AHTT
SCHEMBL30824499 0.80 HRH3 (0.71) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL29604668 0.80 HRH3 (0.71) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL5664122 0.80 HRH3 (0.71) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL31260651 0.79 HRH3 (0.69) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL844364 0.79 HRH3 (0.69) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL14528427 0.79 HRH3 (0.69) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL7702789 0.78 PDE10A (0.76) PDE10A

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 KMT2A 543/4885HRH3 613/4885KDM4E 502/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS KMT2A 543/4885HRH3 613/4885KDM4E 502/4885

“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.