SCHEMBL20043166

SCHEMBL20043166

CC(C)(C)c1cnc(-c2noc(C(C)(C)C)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.48
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL14349571 0.80 NPC1 (0.50) CNR2
SCHEMBL27152577 0.71 P4HA1 (0.53) CNR2HDAC4HDAC6
SCHEMBL16543467 0.70 RAB9A (0.61)
SCHEMBL16115983 0.69 CNR2 (0.65) CNR2CNR1
SCHEMBL10146110 0.69 KDM4E (0.42) CNR2CNR1
SCHEMBL824021 0.68 TSHR (0.32) HDAC6
SCHEMBL16114727 0.67 CNR2 (0.66) CNR2CNR1
SCHEMBL14993359 0.66 HDAC4 (0.56) CNR2HDAC4HDAC6
SCHEMBL16115950 0.66 CNR2 (1.00) CNR2CNR1
SCHEMBL3873902 0.66 HDAC4 (0.41) CNR2HDAC4HDAC6

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-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (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-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CNR2 485/4885HDAC4 1254/4885HDAC6 698/4885

“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.