SCHEMBL20047678

SCHEMBL20047678

CCCCCCC(C)(C)c1cc2ncc(C(C)(C)CC)nc2cc1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.34
▸ CNR1 P21554 8/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20047596 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20047663 0.79 CNR2 (0.44) CNR2CNR1
SCHEMBL20047684 0.78 CNR2 (0.40) CNR2CNR1
SCHEMBL20047668 0.77 CNR2 (0.33) CNR2CNR1
SCHEMBL20047579 0.76 CNR1 (0.31) CNR2CNR1
SCHEMBL20047687 0.75 — —
SCHEMBL8149736 0.74 CNR2 (0.49) CNR2CNR1
SCHEMBL20047602 0.74 CNR2 (0.33) CNR2CNR1
SCHEMBL21161036 0.74 CNR2 (0.36) CNR2CNR1
SCHEMBL20047608 0.74 CNR2 (0.38) CNR2CNR1ALDH1A1PDGFRBSMN1; SMN2

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CNR2 485/4885CNR1 410/4885ALDH1A1 1577/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CNR2 485/4885CNR1 410/4885ALDH1A1 1577/4885

“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.

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