SCHEMBL5744386

SCHEMBL5744386

CC(C)(C)OC(=O)N[C@H]1CCCN[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.51
MAOB P27338 1/20 0.51
TACR1 P25103 15/20 0.47
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL5744384 1.00 KDM1A (0.51) KDM1AMAOBTACR1KMT2AL3MBTL1
SCHEMBL5745869 1.00 KDM1A (0.51) KDM1AMAOBTACR1KMT2AL3MBTL1
SCHEMBL6311266 1.00 KDM1A (0.51) KDM1AMAOBTACR1KMT2AL3MBTL1
SCHEMBL5744393 1.00 KDM1A (0.51) KDM1AMAOBTACR1KMT2AL3MBTL1
SCHEMBL12596343 0.92 KDM1A (0.53) KDM1AMAOBTACR1KMT2AL3MBTL1
SCHEMBL19988415 0.87 KDM1A (0.47) KDM1ATACR1CYP2D6
SCHEMBL6310438 0.85 KDM1A (0.41) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL6828195 0.81 SMN1; SMN2 (0.53) TACR1
SCHEMBL3376268 0.79 ALDH1A1 (0.50) TACR1
SCHEMBL22721975 0.79 ALDH1A1 (0.50) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 KDM1A 1794/4885MAOB 1849/4885TACR1 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.