SCHEMBL4339935

SCHEMBL4339935

CC[C@H](C)C[C@]1(C)N[C@@H](c2ccccc2)COC1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CACNA1G O43497 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HTR7 P34969 2/20 0.31
BRD4 O60885 1/20 0.30
BRDT Q58F21 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
IGF1R P08069 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL5804792 1.00 TDP1 (0.35) TDP1LMNAMEN1KMT2AADAMTS5
SCHEMBL4336144 0.89 LMNA (0.34) LMNAMEN1KMT2AADAMTS5ALDH1A1
SCHEMBL485258 0.84 LMNA (0.38) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL19940946 0.82 KDM1A (0.37) LMNAMEN1KMT2AADORA3HTR7
SCHEMBL4337211 0.81 LMNA (0.33) LMNAMEN1KMT2AADORA3HTR7
SCHEMBL18109699 0.80 SLC10A2 (0.38) LMNAMEN1KMT2ABRD4BRDT
SCHEMBL18109314 0.79 MMP2 (0.37) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19991844 0.78 MMP2 (0.39) LMNAMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL4344060 0.77 OPRM1 (0.34) TDP1LMNACYP19A1HTR7SMN1; SMN2
SCHEMBL4341487 0.77 HTR7 (0.34) LMNACYP19A1ALDH1A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
EP-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP disclosed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 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-20060247291-A1 Amino acid derivatives OPRL1, BCAT2, BCAT1 TDP1 3953/4885LMNA 4367/4885MEN1 3595/4885

“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.