SCHEMBL21047648

SCHEMBL21047648

O=C1CCC(N(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
ALDH1A1 P00352 6/20 0.39
LMNA P02545 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MITF O75030 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2C P28335 2/20 0.39
ADRB2 P07550 1/20 0.39
IDO1 P14902 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38

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
SCHEMBL628780 0.73 HTR2C (0.66) ALDH1A1LMNAMAPTHTR2CADRB2
SCHEMBL29587147 0.73 DPP8 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL21047600 0.73 DPP8 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL28792045 0.71 ALDH1A1 (0.49) SLC6A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL21047872 0.71 SLC22A6 (0.46) SLC6A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL21047740 0.71 PRKCB (0.46) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
Ethylene SCHEMBL7482134 0.71 HTR2C (0.62) ALDH1A1LMNAMAPTHTR2CADRB2
SCHEMBL30503894 0.70 LMNA (0.55) SLC6A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL21047652 0.70 IDO1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL1413420 0.68 HTR2C (0.58) ALDH1A1LMNAMAPTHTR2CADRB2

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 SLC6A4 3063/4885ALDH1A1 505/4885LMNA 697/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS SLC6A4 3063/4885ALDH1A1 505/4885LMNA 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.