SCHEMBL20138602

SCHEMBL20138602

O=C(O)C1CCN(CCCl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL28876785 0.98 MAPT (0.46) TP53CYP1A2CYP3A4CYP2D6PKM
SCHEMBL17913377 0.88 S1PR5 (0.44) CYP1A2CYP2D6NFKB1LMNAALDH1A1
SCHEMBL19514340 0.87 LTA4H (0.47) HRH3LTA4HLMNAPMP22SMN1; SMN2
SCHEMBL3794817 0.81 SLC18A3 (0.47) HRH3LTA4HLMNAALDH1A1SMN1; SMN2
SCHEMBL25262763 0.79 LTA4H (0.43) HRH3LTA4HLMNASMN1; SMN2L3MBTL1
SCHEMBL1077689 0.79 GNAI3 (0.49) HRH3LTA4HLMNASMN1; SMN2L3MBTL1
SCHEMBL458560 0.79 SMN1; SMN2 (0.61) LTA4HLMNASMN1; SMN2L3MBTL1S1PR5
SCHEMBL28783148 0.79 LTA4H (0.43) HRH3LTA4HLMNAPMP22SMN1; SMN2
Hydrochloric Acid SCHEMBL5065549 0.78 SMN1; SMN2 (0.64) LTA4HLMNASMN1; SMN2L3MBTL1S1PR5
SCHEMBL2061566 0.78 LMNA (0.45) HRH3LTA4HLMNASMN1; SMN2L3MBTL1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159526-A Process for preparing chloroalkyl substituted cyclic amines 好利安药理股份公司 2024-06-07 CN claimed
CN-110167931-A Method for preparing umeclidinium bromide 好利安科技有限公司 2019-08-23 CN claimed
US-20240383854-A1 PROCESS FOR THE PREPARATION OF CHLOROALKYL SUBSTITUTED CYCLIC AMINES HOVIONE FARMACIENCIA SA (PT) 2024-11-21 US disclosed
EP-4392411-A1 PROCESS FOR THE PREPARATION OF CHLOROALKYL SUBSTITUTED CYCLIC AMINES Hovione Farmaciencia SA (PT) 2024-07-03 EP disclosed
WO-2023030667-A1 PROCESS FOR THE PREPARATION OF CHLOROALKYL SUBSTITUTED CYCLIC AMINES HOVIONE SCIENTIA (IE) 2023-03-09 WO disclosed
CN-115385906-A Method for preparing umeclidinium bromide 好利安科技有限公司 2022-11-25 CN disclosed
CN-112479983-B Wumei ammonium bromide intermediate and preparation method thereof 江苏豪森药业集团有限公司 2022-07-12 CN disclosed
CN-111484445-B Method for separating and purifying intermediate of high-purity Wumei ammonium bromide 广东莱佛士制药技术有限公司 2021-05-18 CN disclosed
CN-111484445-B Method for separating and purifying intermediate of high-purity Wumei ammonium bromide 广东莱佛士制药技术有限公司 2021-05-18 CN disclosed
CN-112479983-A Wumei ammonium bromide intermediate and preparation method thereof 江苏豪森药业集团有限公司 2021-03-12 CN disclosed
CN-111484445-A Method for synthesizing intermediate of high-purity Wumei ammonium bromide 广东莱佛士制药技术有限公司 2020-08-04 CN disclosed
CN-111484445-A Method for synthesizing intermediate of high-purity Wumei ammonium bromide 广东莱佛士制药技术有限公司 2020-08-04 CN disclosed
EP-3538524-A1 PROCESS FOR THE PREPARATION OF UMECLIDINIUM BROMIDE Hovione Scientia Limited (IE) 2019-09-18 EP disclosed
CN-110167931-A Method for preparing umeclidinium bromide 好利安科技有限公司 2019-08-23 CN disclosed
CN-110167931-A Method for preparing umeclidinium bromide 好利安科技有限公司 2019-08-23 CN disclosed
WO-2018087561-A1 PROCESS FOR THE PREPARATION OF UMECLIDINIUM BROMIDE HOVIONE SCIENTIA LIMITED (IE) 2018-05-17 WO disclosed
CN-107935917-A A kind of synthetic method of 1 (2 chloroethyl) 4 piperidinecarboxylic acid ester 广东莱佛士制药技术有限公司 2018-04-20 CN disclosed
CN-102040602-A Muscarinic acetylcholine receptor antagonists GLAXO GROUP LTD 2011-05-04 CN disclosed
CN-1976701-A Muscarinic acetylcholine receptor antagonists GLAXO GROUP LTD (GB) 2007-06-06 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 (1 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-20240383854-A1 PROCESS FOR THE PREPARATION OF CHLOROALKYL SUBSTITUTED CYCLIC AMINES ETFB, TOP2B, MGMT TP53 1390/4885CYP1A2 26/4885CYP3A4 134/4885

“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.