SCHEMBL19251089

SCHEMBL19251089

CCCC(C)(C)c1cncc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
ROCK1 Q13464 1/20 0.36
DYRK1A Q13627 1/20 0.36
NTRK3 Q16288 1/20 0.36
PKN2 Q16513 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CYP1A1 P04798 1/20 0.35

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
SCHEMBL19139244 0.90 CNR2 (0.40) CHRNB2CHRNA4CNR1CNR2
SCHEMBL19251170 0.86 CYP11B1 (0.38) CHRNB2CHRNA4CYP11B1CYP11B2ROCK2
SCHEMBL22752268 0.83 CYP11B1 (0.34) CHRNB2CHRNA4CYP11B1CYP11B2ROCK2
SCHEMBL19633835 0.83 CNR2 (0.35) CNR1CNR2
SCHEMBL17129735 0.80 ALDH1A1 (0.46) CYP3A4CYP1A1CYP1B1CNR1CNR2
SCHEMBL19274420 0.78 CNR2 (0.33) CNR1CNR2
SCHEMBL20927024 0.78 CHRNB2 (0.33) CHRNB2CHRNA4CYP11B1CYP11B2ROCK2
SCHEMBL91426 0.77 CYP1A1 (0.42) CHRNB2CHRNA4CYP11B1CYP11B2ROCK2
SCHEMBL18516838 0.77 CNR2 (0.36) CHRNB2CHRNA4CYP11B1CYP11B2CYP3A4
SCHEMBL22778677 0.76 KDM4E (0.39) CYP3A4CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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 (3 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CHRNB2 388/4885CHRNA4 459/4885CYP11B1 1560/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CHRNB2 3774/4885CHRNA4 4368/4885CYP11B1 3351/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CHRNB2 388/4885CHRNA4 459/4885CYP11B1 1560/4885

“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.