SCHEMBL18698293

SCHEMBL18698293

CCc1cc(CC)n(C)c(=O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 3/20 0.32
NOX4 Q9NPH5 1/20 0.32
GRIN2A Q12879 1/20 0.31

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
SCHEMBL2760430 0.78 CYP1A2 (0.40) GPR84ALDH1A1MAPK1CYP1A2CHRNB2
SCHEMBL24376804 0.77 GPR84 (0.64) GPR84ALDH1A1MAPK1CYP1A2KMT2A
SCHEMBL14496940 0.77 GPR84 (0.39) GPR84ALDH1A1MAPK1CHRNB2CHRNB4
SCHEMBL23710639 0.76 MAPK1 (0.48) ALDH1A1MAPK1CYP1A2MEN1KMT2A
SCHEMBL18945311 0.74 GPR84 (0.37) GPR84ALDH1A1MAPK1CYP1A2MEN1
SCHEMBL9393426 0.72 GPR84 (0.32) GPR84ALDH1A1MAPK1GRIN2A
SCHEMBL16093372 0.67 CA12 (0.38) GPR84MEN1KMT2AGRIN2A
SCHEMBL23710638 0.65 LMNA (0.41) GPR84CYP1A2MEN1KMT2ACYP3A4
SCHEMBL12222527 0.64 IDH1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18475136 0.64 PTGS1 (0.36) MAPK1HPGDMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-9611274-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-04 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 GPR84 4522/4885ALDH1A1 4457/4885MAPK1 540/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 GPR84 4593/4885ALDH1A1 4479/4885MAPK1 672/4885

“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.