SCHEMBL3745674

SCHEMBL3745674

CC(c1ccccc1)N(C)C(=O)[C@@]1(c2ccccc2)C[C@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.54
SLC6A4 P31645 9/20 0.50
SLC6A3 Q01959 6/20 0.50
CYP2D6 P10635 1/20 0.48
HTR2C P28335 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL3749151 0.92 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL3748347 0.92 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL3740594 0.86 TACR3 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL3736120 0.86 TACR3 (0.47)
SCHEMBL15433960 0.77 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL1289614 0.77 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL9993370 0.77 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL12067203 0.77 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL2480492 0.76 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL13835445 0.76 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C

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
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

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 SLC6A2 141/4885SLC6A4 153/4885SLC6A3 2/4885

“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.