SCHEMBL19835604

SCHEMBL19835604

Cc1ccc2c(c1)C(C)[C@@H](C)OC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
ACHE P22303 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SRD5A1 P18405 2/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL18643709 1.00 HTR2C (0.37) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL19827913 1.00 HTR2C (0.37) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL14449346 0.85 HTR2C (0.37) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL19835912 0.85 HTR2C (0.37) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL19829950 0.82 ACHE (0.34) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL19827831 0.82 ACHE (0.34) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL19829947 0.82 ACHE (0.34) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL19810366 0.82 HTR1A (0.37) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL19827763 0.82 ACHE (0.34) HTR2CACHECHRNB2CHRNA4SLC6A2
SCHEMBL19828061 0.82 ACHE (0.34) HTR2CACHECHRNB2CHRNA4SLC6A2

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-11077090-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (MA) 2021-08-03 US disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 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-11077090-B2 Compounds and compositions and uses thereof ACHE, CHAT, MAOB HTR2C 196/4885ACHE 1/4885CHRNB2 286/4885
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB HTR2C 196/4885ACHE 1/4885CHRNB2 286/4885

“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.