SCHEMBL13453082

SCHEMBL13453082

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MCHR1 Q99705 1/20 0.47
SSTR5 P35346 3/20 0.45
SSTR1 P30872 1/20 0.45
HRH1 P35367 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
UTS2R Q9UKP6 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR1 P21453 2/20 0.43
CCR3 P51677 1/20 0.42

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 0.90 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1MCHR1SSTR5
SCHEMBL15712239 0.90 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2ALDH1A1MCHR1SSTR5
SCHEMBL12852795 0.89 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2ALDH1A1MCHR1SSTR5
SCHEMBL1669329 0.88 UTS2R (0.45) KDM4ESMN1; SMN2ALDH1A1MCHR1SSTR5
SCHEMBL12852777 0.86 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2ALDH1A1MCHR1SSTR5
SCHEMBL13152333 0.86 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2ALDH1A1MCHR1SSTR5
SCHEMBL13453086 0.84 TSHR (0.60) KDM4EMCHR1TSHRSIGMAR1
SCHEMBL12852793 0.82 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1MCHR1SSTR5
SCHEMBL4975569 0.75 SIGMAR1 (0.57) KDM4ESMN1; SMN2ALDH1A1MCHR1SSTR5
SCHEMBL13453085 0.75 CYP2D6 (0.62) MCHR1TSHRSIGMAR1KMT2A

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
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
US-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-18 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 (3 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 KDM4E 4560/4885SMN1; SMN2 3098/4885ALDH1A1 2661/4885
US-20140135307-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 KDM4E 4560/4885SMN1; SMN2 3098/4885ALDH1A1 2661/4885
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 KDM4E 4560/4885SMN1; SMN2 3098/4885ALDH1A1 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.