SCHEMBL6809952

SCHEMBL6809952

C[C@@H]1C[C@H](C)C[C@H](C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
CYP2C19 P33261 3/20 0.39
GABRR1 P24046 1/20 0.39
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 3/20 0.37
ALOX15 P16050 3/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
TSHR P16473 2/20 0.36
PMP22 Q01453 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL4864612 1.00 APLNR (0.42) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL1888152 1.00 APLNR (0.42) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3384406 1.00 APLNR (0.42) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL1067196 0.97
SCHEMBL12385979 0.97
SCHEMBL4919619 0.97
SCHEMBL9683163 0.94 APLNR (0.42) APLNRCYP2C19GABRR1CYP2D6CYP1A2
Lithium SCHEMBL8041363 0.94
SCHEMBL21057278 0.85 APLNR (0.41) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL21057276 0.85 APLNR (0.41) APLNRCYP2C19GABRR1CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
WO-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 WO disclosed
US-20040077618-A1 Cycloalkylamides and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US disclosed
US-5646144-A FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5541195-A SUBSTANCE P ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-07-30 US disclosed
US-5310743-A Substance P antagonist CIBA-GEIGY CORP. (US) 1994-05-10 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-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 APLNR 3303/4885CYP2C19 422/4885GABRR1 4151/4885
US-20040077618-A1 Cycloalkylamides and their therapeutic applications GAP43, SCN1B, GRIN2B APLNR 1443/4885CYP2C19 874/4885GABRR1 80/4885

“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.