SCHEMBL18617809

SCHEMBL18617809

CCc1cccc(C2CCN(C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.50
SIGMAR1 Q99720 2/20 0.50
QDPR P09417 2/20 0.50
DRD3 P35462 4/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL17072665 0.90 DRD3 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22805478 0.86 SIGMAR1 (0.47) DRD2SIGMAR1DRD3DRD1DRD4
SCHEMBL18616729 0.85 DRD2 (0.60) DRD2QDPRDRD3DRD1DRD4
SCHEMBL20671891 0.83 DRD2 (0.47) DRD2SIGMAR1QDPRDRD3DRD1
SCHEMBL5620353 0.83 PRMT6 (0.47) DRD2QDPRDRD3DRD1DRD4
SCHEMBL5666205 0.81 DRD2 (0.49) DRD2SIGMAR1DRD3DRD1DRD4
SCHEMBL25377908 0.80 QDPR (0.48) DRD2QDPRDRD3
SCHEMBL31263811 0.80 QDPR (0.48) DRD2QDPRDRD3
SCHEMBL4511164 0.80 DRD2 (0.51) DRD2SIGMAR1DRD3
SCHEMBL3680708 0.79 SIGMAR1 (0.43) DRD2SIGMAR1DRD3DRD1DRD4

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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO 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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 DRD2 4834/4885SIGMAR1 397/4885QDPR 2565/4885

“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.