SCHEMBL2549987

SCHEMBL2549987

CC(C)(C)C1CC(Cc2ccc(Br)cc2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.40
CCR5 P51681 2/20 0.40
CHRM2 P08172 1/20 0.40
MCHR1 Q99705 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2548860 0.78 BACE1 (0.37) ALDH1A1HTTKMT2A
SCHEMBL3586527 0.77 RIPK1 (0.31)
SCHEMBL17748901 0.77 CCR3 (0.53) CCR3CCR5CHRM2MEN1LMNA
SCHEMBL4951736 0.76 MAOB (0.46) MEN1KMT2A
SCHEMBL18322450 0.75 RIPK1 (0.34)
SCHEMBL1810381 0.75 NR1H2 (0.33) LMNA
SCHEMBL23724093 0.75 CCR5 (0.40) CCR5MEN1ALDH1A1HTTKMT2A
SCHEMBL8536867 0.75 CCR5 (0.40) CCR5CHRM2ALDH1A1SMN1; SMN2
SCHEMBL3397755 0.74 LIPG (0.39) CCR3MEN1ALDH1A1LMNAHTT
SCHEMBL21381104 0.74 MAPT (0.41) LMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 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 (2 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-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CCR3 4504/4885CCR5 3284/4885CHRM2 4873/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CCR3 4504/4885CCR5 3284/4885CHRM2 4873/4885

“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.