SCHEMBL1669329

SCHEMBL1669329

COOCCC[C@@H](NC1CCN(Cc2ccc(Cl)c(C)c2)CC1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MCHR1 Q99705 1/20 0.44
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR5 P35346 1/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 3/20 0.40
GAA P10253 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL13453082 0.88 KDM4E (0.50) UTS2RSMN1; SMN2KDM4EALDH1A1MCHR1
SCHEMBL15712239 0.86 SMN1; SMN2 (0.46) UTS2RSMN1; SMN2KDM4EALDH1A1MCHR1
SCHEMBL12852778 0.86 KDM4E (0.46) UTS2RSMN1; SMN2KDM4EALDH1A1MCHR1
SCHEMBL12852795 0.85 SMN1; SMN2 (0.48) UTS2RSMN1; SMN2KDM4EALDH1A1MCHR1
SCHEMBL13152333 0.82 SMN1; SMN2 (0.43) UTS2RSMN1; SMN2KDM4EALDH1A1MCHR1
SCHEMBL12852777 0.82 SMN1; SMN2 (0.43) UTS2RSMN1; SMN2KDM4EALDH1A1MCHR1
SCHEMBL12852793 0.79 KDM4E (0.43) UTS2RSMN1; SMN2KDM4EALDH1A1MCHR1
SCHEMBL13453086 0.72 TSHR (0.60) KDM4EMCHR1TSHRSIGMAR1
SCHEMBL4975569 0.72 SIGMAR1 (0.57) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL12855257 0.70 TP53 (0.43) KDM4EALDH1A1MCHR1TSHRSSTR5

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-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-18 US disclosed
WO-2012045803-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 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-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 UTS2R 614/4885SMN1; SMN2 3098/4885KDM4E 4560/4885

“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.