SCHEMBL15712239

SCHEMBL15712239

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MCHR1 Q99705 1/20 0.46
TSHR P16473 1/20 0.44
UTS2R Q9UKP6 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SSTR5 P35346 3/20 0.42
SSTR1 P30872 1/20 0.42
HRH1 P35367 1/20 0.42
CCR3 P51677 3/20 0.41
GAA P10253 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL12852778 0.92 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1MCHR1TSHR
SCHEMBL12852777 0.92 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1MCHR1TSHR
SCHEMBL13152333 0.92 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1MCHR1TSHR
SCHEMBL13453082 0.90 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1MCHR1TSHR
SCHEMBL12852795 0.87 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1MCHR1TSHR
SCHEMBL1669329 0.86 UTS2R (0.45) SMN1; SMN2KDM4EALDH1A1MCHR1TSHR
SCHEMBL12852793 0.81 KDM4E (0.43) SMN1; SMN2KDM4EALDH1A1MCHR1TSHR
SCHEMBL13453086 0.74 TSHR (0.60) KDM4EMCHR1TSHRSIGMAR1
SCHEMBL4975569 0.74 SIGMAR1 (0.57) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL12855257 0.72 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233950-B2 Co-crystals and salts of CCR3-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
EP-2625174-B1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8742115-B2 Co-crystals and salts of CCR3-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-20140135307-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 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 (2 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-20140135307-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 SMN1; SMN2 3098/4885KDM4E 4560/4885ALDH1A1 2661/4885
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 SMN1; SMN2 3098/4885KDM4E 4560/4885ALDH1A1 2661/4885

“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.