SCHEMBL3422142

SCHEMBL3422142

NCC1CC1(C(N)=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.66
SLC6A4 P31645 16/20 0.64
SLC6A3 Q01959 7/20 0.64
CYP2D6 P10635 1/20 0.64
HTR2C P28335 1/20 0.64
KDM4E B2RXH2 1/20 0.62
MAPK1 P28482 1/20 0.62

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
SCHEMBL12459423 1.00 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL14143440 0.88 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL15433976 0.88 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL12694069 0.88 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL2475580 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL15433977 0.85 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL2722771 0.85 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL5527451 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL141728 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL140633 0.81 SLC6A3 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43879-E1 Use of the dextrogyral enantiomer of milnacipran for the preparation of a drug PIERRE FABRE MEDICAMENT (FR) 2012-12-25 US disclosed
EP-1485078-B1 Milnacipran for the treatment of irritable bowel syndrome CYPRESS BIOSCIENCE INC (US) 2012-09-26 EP disclosed
EP-1487787-B1 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS OF N-HYDROXYALKYL TETRAMETHYLCYCLOPROPANE-CARBOXAMIDE, HAVING ANTI-EPILEPTIC AND METHOD FOR THEIR PREPARATION YISSUM RES DEV CO (IL) 2010-12-22 EP disclosed
US-20050282859-A1 Dual acting SNRI-NMDA antagonists for the treatment of genitourinary disorders EDUSA PHARMACEUTICALS, INC. 2005-12-22 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-20050282859-A1 Dual acting SNRI-NMDA antagonists for the treatment of genitourinary disorders GRIN1, GRIN3A, GRM5 SLC6A2 44/4885SLC6A4 144/4885SLC6A3 38/4885

“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.