SCHEMBL15037437

SCHEMBL15037437

CN1CC(C)(c2ccccc2)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
DRD4 P21917 1/20 0.40
OPRM1 P35372 1/20 0.40
SRD5A1 P18405 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HSD11B1 P28845 1/20 0.39
BACE1 P56817 1/20 0.39
SLC18A3 Q16572 1/20 0.38
EPHX2 P34913 3/20 0.38
GRM5 P41594 1/20 0.37
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL15037435 0.82 HSD11B1 (0.42) ALDH1A1SRD5A1MEN1KMT2AHSD11B1
SCHEMBL22814589 0.79 SMN1; SMN2 (0.44) ALDH1A1MEN1CYP2C9KMT2AAKR1C3
SCHEMBL22814449 0.79 ALDH1A1 (0.44) ALDH1A1OPRM1MEN1CYP2C9KMT2A
SCHEMBL3030218 0.78 ALDH1A1 (0.49) ALDH1A1DRD4OPRM1SRD5A1MEN1
SCHEMBL16475260 0.76 ALDH1A1 (0.46) ALDH1A1DRD4OPRM1SRD5A1MEN1
SCHEMBL7810392 0.74 MEN1 (0.63) ALDH1A1OPRM1MEN1CYP2C9KMT2A
SCHEMBL3017592 0.73 ALDH1A1 (0.44) ALDH1A1DRD4OPRM1SRD5A1MEN1
SCHEMBL15037487 0.72 GRIN1 (0.39) ALDH1A1DRD4OPRM1GRIN1GRIN2A
SCHEMBL15037440 0.72 ALDH1A1 (0.40) ALDH1A1KMT2ABACE1SLC18A3GRM5
SCHEMBL3023193 0.72 ALDH1A1 (0.47) ALDH1A1

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
EP-3753938-A1 SUBSTITUTED IMIDAZO-QUINOLINES AS NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2020-12-23 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C ALDH1A1 55/4885DRD4 40/4885OPRM1 67/4885

“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.