SCHEMBL5029474

SCHEMBL5029474

CC(C)[C@@H]1C[C@H](NC(=O)O)CC[C@@H]1N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.34
SMYD3 Q9H7B4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
BTK Q06187 1/20 0.30
KDM1A O60341 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL5029481 1.00 EPHX1 (0.34) EPHX1SMYD3L3MBTL1TRPM8BTK
SCHEMBL16224000 0.77 BTK (0.36) EPHX1SMYD3BTK
SCHEMBL16224001 0.77 BTK (0.36) EPHX1SMYD3BTK
SCHEMBL5029182 0.74 TRPV1 (0.34) EPHX1TRPM8BTKKDM1APKM
SCHEMBL19212856 0.74 EPHX2 (0.34) BTK
SCHEMBL19212794 0.74 EPHX2 (0.34) BTK
SCHEMBL19212816 0.74 EPHX2 (0.34) BTK
SCHEMBL20679523 0.74 EPHX2 (0.34) BTK
SCHEMBL28414512 0.74 EPHX2 (0.34) BTK
SCHEMBL5033724 0.74 GABRR1 (0.34) SMYD3BTK

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-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 EPHX1 2141/4885SMYD3 3068/4885L3MBTL1 4606/4885

“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.