SCHEMBL16178753

SCHEMBL16178753

CC1CN(C(=O)NCc2ccc3c(c2)OCO3)CCN1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL16178801 0.84 RYR2 (0.52) CHRM3SMN1; SMN2OPRK1POLB
SCHEMBL16178785 0.80 EPHX2 (0.62) SMN1; SMN2ALDH1A1HPGDPOLBMAPK1
SCHEMBL5470035 0.79 MEN1 (0.61) SMN1; SMN2ALDH1A1HPGDOPRK1LMNA
SCHEMBL16178769 0.79 NPC1 (0.57) SMN1; SMN2ALDH1A1LMNAPOLBHSD17B10
SCHEMBL4557723 0.77 RAB9A (0.55) CHRM3SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL14941502 0.77 EPHX2 (0.47) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL16178752 0.77 MLNR (0.48) CHRM3ALDH1A1
SCHEMBL4991673 0.72 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1HPGDLMNAHSD17B10
SCHEMBL179085 0.72 RAB9A (0.76) SMN1; SMN2ALDH1A1HPGDLMNAHSD17B10
SCHEMBL8921461 0.71 HTT (0.77) ALDH1A1LMNAPOLBGAAMAPK1

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 CHRM3 4181/4885SMN1; SMN2 3142/4885ALDH1A1 708/4885

“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.

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