SCHEMBL16809393

SCHEMBL16809393

CC(=O)Nc1c[n+](Cc2ccccc2)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CHKA P35790 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
Bromide SCHEMBL31432631 0.99 ALDH1A1 (0.49) ALDH1A1HPGDNPSR1L3MBTL1BRD4
SCHEMBL11949311 0.86 RAB9A (0.48) ALDH1A1HPGDNPSR1L3MBTL1PKM
Bromide SCHEMBL693845 0.85 NPC1 (0.47) ALDH1A1HPGDNPSR1L3MBTL1PKM
Hydrochloric Acid SCHEMBL1373732 0.85 PKM (0.47) ALDH1A1HPGDNPSR1L3MBTL1PKM
Bromide SCHEMBL555083 0.81 CA12 (0.43) BRD4PKMRAB9ANPC1
SCHEMBL15836427 0.80 ALDH1A1 (0.46) ALDH1A1NPSR1L3MBTL1RAB9AKDM4E
Bromide SCHEMBL15820807 0.79 ACHE (0.48) ALDH1A1NPSR1L3MBTL1RAB9AKDM4E
SCHEMBL11949310 0.77 ACHE (0.56) ALDH1A1NPSR1L3MBTL1PKMRAB9A
SCHEMBL5307716 0.74 ALDH1A1 (0.53) ALDH1A1NPSR1L3MBTL1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7307884 0.73 ALDH1A1 (0.56) ALDH1A1NPSR1L3MBTL1RAB9AKDM4E

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
US-9951012-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2018-04-24 — — US disclosed
US-20180037551-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LAB LTD (IN) 2018-02-08 — — US disclosed
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2016-04-14 — — US disclosed
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2016-04-14 — — US disclosed
WO-2015087201-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2015-06-18 — — WO 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-20180037551-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C ALDH1A1 2146/4885HPGD 3454/4885NPSR1 1167/4885
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C ALDH1A1 1622/4885HPGD 3583/4885NPSR1 1360/4885

“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.

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