Sugi Predict

Sugi Predict / Compounds / N-Benzylmethylamine

N-Benzylmethylamine

N-Benzylmethylamine

SCHEMBL2477949

CNCc1ccccc1.O=C(O)[C@@]1(c2ccc(F)c(F)c2)C[C@H]1CO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ KCNJ6 P48051 2/20 0.37
▸ KCNJ5 P48544 2/20 0.37
▸ KCNJ3 P48549 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HCAR3 P49019 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ NAMPT P43490 1/20 0.33

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
N-Benzylmethylamine SCHEMBL5792207 1.00 TACR3 (0.40) TACR3SLC6A4KDM4ECYP3A4MAPT
N-Benzylmethylamine SCHEMBL2477939 0.87 SLC6A4 (0.44) TACR3SLC6A4KDM4ECYP3A4MAPT
SCHEMBL3743997 0.86 CCR2 (0.43) TACR3SLC6A4CYP3A4SLC6A2CCR2
SCHEMBL6023197 0.86 CCR2 (0.43) TACR3SLC6A4CYP3A4SLC6A2CCR2
N-Benzylmethylamine SCHEMBL2477549 0.85 SLC6A4 (0.44) SLC6A4SLC6A2SIGMAR1
N-Benzylmethylamine SCHEMBL2477187 0.84 SLC6A4 (0.46) TACR3SLC6A4SLC6A3
SCHEMBL2477948 0.78 TACR3 (0.59) TACR3
SCHEMBL5792205 0.78 TACR3 (0.59) TACR3
SCHEMBL5792435 0.76 SIGMAR1 (0.42) CCR2SIGMAR1
SCHEMBL2476151 0.75 TACR3 (0.40) TACR3SLC6A4SLC6A2CCR2

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
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 — — EP disclosed
US-7834008-B2 neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide H. LUNDBECK A/S (DK) 2010-11-16 — — US disclosed
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists H. LUNDBECK A/S (DK) 2006-12-14 — — US disclosed
EP-1656349-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. Lundbeck A/S (DK) 2006-05-17 — — EP disclosed
WO-2005016884-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2005-02-24 — — 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 (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-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists TACR2, SLC6A3, TACR1 TACR3 5/4885SLC6A4 153/4885KDM4E 3178/4885

“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.