SCHEMBL21886560

SCHEMBL21886560

CSc1ccc2c(c1)CCC(=O)N2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 3/20 0.43
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ATAD2 Q6PL18 1/20 0.36
BMPR1B O00238 2/20 0.36
BMPR1A P36894 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
TGFBR1 P36897 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
MAPT P10636 1/20 0.33
ADAM17 P78536 1/20 0.33
TYMS P04818 1/20 0.33
ALOX5 P09917 1/20 0.32
CYP17A1 P05093 1/20 0.32

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
SCHEMBL5541492 0.80 SRD5A1 (0.47) SMN1; SMN2CYP2D6CYP2C9ATAD2BMPR1B
SCHEMBL1119387 0.78 SRD5A1 (0.47) HTR2AHTR2CHTR2BSMN1; SMN2CYP2D6
SCHEMBL19910573 0.78 SMN1; SMN2 (0.40) HTR2AHTR2CSMN1; SMN2CYP2D6CYP2C9
SCHEMBL5541484 0.78 SMN1; SMN2 (0.43) TRIM24SMN1; SMN2CYP2D6CYP2C9ATAD2
SCHEMBL8126458 0.78 ATAD2 (0.59) SMN1; SMN2CYP2D6CYP2C9ATAD2BMPR1B
SCHEMBL25318142 0.78 CYP2D6 (0.42) SMN1; SMN2CYP2D6CYP2C9ATAD2BMPR1B
SCHEMBL29896920 0.78 SRD5A1 (0.47) HTR2AHTR2CHTR2BSMN1; SMN2CYP2D6
SCHEMBL19910561 0.77 TP53 (0.42) SMN1; SMN2CYP2D6CYP2C9ATAD2BMPR1B
SCHEMBL6608548 0.76 SRD5A1 (0.49) TRIM24SMN1; SMN2DRD2MAPTCYP1A2
SCHEMBL5956393 0.74 SMN1; SMN2 (0.55) SMN1; SMN2CYP2D6CYP2C9DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2020-04-16 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-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX TRIM24 2744/4885HTR2A 2145/4885HTR2C 2200/4885

“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.