SCHEMBL13349488

SCHEMBL13349488

COc1cc(C(=O)N(C/C(C)=C/c2ccccc2)C2CCCNC2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 14/20 0.55
MAPK1 P28482 1/20 0.45
OPRK1 P41145 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TNFRSF1A P19438 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MBTPS1 Q14703 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
SCHEMBL3537546 0.84 ACKR3 (0.58) ACKR3MAPK1OPRK1
SCHEMBL3537544 0.84 ACKR3 (0.58) ACKR3MAPK1OPRK1
SCHEMBL3539290 0.81 ACKR3 (0.59) ACKR3ALDH1A1
SCHEMBL12410244 0.81 ACKR3 (0.59) ACKR3ALDH1A1
SCHEMBL3539292 0.81 ACKR3 (0.59) ACKR3ALDH1A1
SCHEMBL3539337 0.80 ACKR3 (0.62) ACKR3TNFRSF1A
SCHEMBL3539339 0.80 ACKR3 (0.62) ACKR3TNFRSF1A
SCHEMBL13166392 0.78 ACKR3 (0.62) ACKR3
SCHEMBL3540145 0.78 ACKR3 (0.62) ACKR3
SCHEMBL3540150 0.78 ACKR3 (0.62) ACKR3

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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 ACKR3 12/4885MAPK1 1883/4885OPRK1 610/4885

“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.