SCHEMBL13453085

SCHEMBL13453085

CC[C@@H](NC1CCN(Cc2ccccc2)CC1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
TSHR P16473 1/20 0.60
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
SIGMAR1 Q99720 6/20 0.54
DPP7 Q9UHL4 1/20 0.53
MCHR1 Q99705 1/20 0.53
DRD4 P21917 3/20 0.52
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL13453086 0.91 TSHR (0.60) CYP2D6CYP2C9TSHRCYP3A4CYP2C19
SCHEMBL1205432 0.82 CHRM4 (0.52) CYP2D6CYP2C9SIGMAR1DPP7DRD4
SCHEMBL3243860 0.79 TSHR (0.76) CYP2D6CYP2C9TSHRCYP3A4CYP2C19
SCHEMBL3243863 0.79 TSHR (0.76) CYP2D6CYP2C9TSHRCYP3A4CYP2C19
SCHEMBL3960093 0.78 SIGMAR1 (0.56) CYP2D6CYP2C9CYP3A4CYP2C19SIGMAR1
SCHEMBL7144268 0.77 CYP2D6 (0.67) CYP2D6CYP2C9TSHRSIGMAR1DPP7
SCHEMBL23201807 0.76 GAA (0.61) CYP2D6CYP2C9TSHRCYP3A4CYP2C19
SCHEMBL10481422 0.76 GAA (0.61) CYP2D6CYP2C9TSHRCYP3A4CYP2C19
SCHEMBL14052244 0.76 ACHE (0.57) CYP2D6CYP2C9TSHRDRD4DRD2
SCHEMBL10361893 0.76 SIGMAR1 (0.65) CYP2D6CYP2C9SIGMAR1DPP7MCHR1

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 CYP2D6 2085/4885CYP2C9 1025/4885TSHR 2075/4885
US-20140135307-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 CYP2D6 2085/4885CYP2C9 1025/4885TSHR 2075/4885
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 CYP2D6 2085/4885CYP2C9 1025/4885TSHR 2075/4885

“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.