SCHEMBL16178442

SCHEMBL16178442

COc1cccc(NC(=O)N2CCNC(CO)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.65
HTT P42858 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
GRIN2B Q13224 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL16178483 0.89 HTT (0.65) CCR3HTTNPC1RAB9APOLB
SCHEMBL16178503 0.86 MAPT (0.59) CCR3NPC1RAB9AALDH1A1GRIN2B
SCHEMBL1381914 0.83 HTT (0.60) CCR3HTTNPC1RAB9APOLB
SCHEMBL2399513 0.82 HTT (0.78) HTTNPC1RAB9APOLBALDH1A1
Hydrochloric Acid SCHEMBL5355282 0.79 CCR3 (0.98) CCR3ALDH1A1
SCHEMBL27979642 0.78 HTT (0.89) HTTNPC1RAB9APOLBALDH1A1
SCHEMBL5192584 0.76 CCR3 (0.51) CCR3HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL417569 0.75 RAB9A (1.00) HTTNPC1RAB9APOLBALDH1A1
SCHEMBL5193199 0.75 MAPT (0.55) CCR3NPC1RAB9AALDH1A1GRIN2B
SCHEMBL16178418 0.74 HTT (0.57) HTTNPC1RAB9APOLBALDH1A1

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-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 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 (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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 CCR3 1254/4885HTT 2650/4885NPC1 1968/4885

“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.