SCHEMBL4916232

SCHEMBL4916232

NCC(c1ccccc1)[C@@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.53
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
EPHX1 P07099 2/20 0.50
MAOA P21397 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HTR2A P28223 1/20 0.46
ANPEP P15144 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42

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
SCHEMBL4557627 1.00 TAAR1 (0.53) TAAR1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL9191396 0.82 HRH1 (0.53) TAAR1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL10913591 0.80 HTR2A (0.57) TAAR1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL24017042 0.78 EPHX1 (0.70) TAAR1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL9536448 0.78 EPHX1 (0.70) TAAR1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL8995001 0.78 TAAR1 (0.73) TAAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL1169184 0.77 TACR1 (0.58) TAAR1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL5872302 0.77 TACR1 (0.58) TAAR1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL4978886 0.77 DPP4 (0.56) TAAR1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL8761504 0.75 EPHX1 (0.52) TAAR1SLC6A2SLC6A4SLC6A3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017033134-A1 ENZYMATIC PROCESS FOR THE FOR PREPARATION OF (R)-1-(1-NAPHTHYL) ETHYLAMINE, AN INTERMEDIATE OF CINACALCET HYDROCHLORIDE LUPIN LIMITED (IN) 2017-03-02 WO claimed
US-20080021042-A1 Composition For Controlling Neuropathic Pain MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 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 (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-20080021042-A1 Composition For Controlling Neuropathic Pain GAP43, SCN10A, SCN2A TAAR1 1321/4885SLC6A2 182/4885SLC6A4 380/4885

“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.