SCHEMBL5747737

SCHEMBL5747737

Cc1ccccc1[C@H]1NCC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
MAOB P27338 2/20 0.43
EPHX2 P34913 1/20 0.43
BTK Q06187 2/20 0.40
HTR2C P28335 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
DRD2 P14416 2/20 0.36
NAMPT P43490 1/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
KCNA3 P22001 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL6310438 0.93 KDM1A (0.41) KDM1AMAOBEPHX2BTKHTR2C
SCHEMBL1033996 0.85 HTR2C (0.46) KDM1AHTR2CSSTR1SSTR4GAA
SCHEMBL1033997 0.85 HTR2C (0.46) KDM1AHTR2CSSTR1SSTR4GAA
SCHEMBL1033999 0.85 HTR2C (0.46) KDM1AHTR2CSSTR1SSTR4GAA
SCHEMBL12596343 0.85 KDM1A (0.53) KDM1AMAOBEPHX2BTKKMT2A
SCHEMBL31648647 0.84 PDE4B (0.37) KDM1AMAOBEPHX2HTR2CKMT2A
SCHEMBL6310980 0.82 BRD9 (0.42) KDM1AMAOBEPHX2BTKKMT2A
SCHEMBL6310970 0.82 BRD9 (0.42) KDM1AMAOBEPHX2BTKKMT2A
SCHEMBL6310972 0.82 BRD9 (0.42) KDM1AMAOBEPHX2BTKKMT2A
SCHEMBL6317329 0.78 F2R (0.39) KDM1A

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 1849/4885EPHX2 1930/4885

“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.