SCHEMBL24960094

SCHEMBL24960094

CC(C)c1cnc(C(=O)NC2CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ABL1 P00519 2/20 0.46
▸ SMYD3 Q9H7B4 6/20 0.44
▸ CNR2 P34972 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C9 P11712 3/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40

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
SCHEMBL24956359 0.94 NPC1 (0.52) NPC1RAB9ATSHRSMN1; SMN2ABL1
SCHEMBL24956358 0.94 NPC1 (0.56) NPC1RAB9ATSHRSMN1; SMN2ABL1
SCHEMBL24960109 0.88 TGFBR1 (0.46) NPC1RAB9ATSHRSMN1; SMN2ABL1
SCHEMBL24958860 0.85 ABL1 (0.45) NPC1RAB9ATSHRSMN1; SMN2ABL1
SCHEMBL24958738 0.80 NPC1 (0.41) NPC1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL24956354 0.80 SMYD3 (0.51) NPC1RAB9ASMN1; SMN2ABL1SMYD3
SCHEMBL24958916 0.77 ABL1 (0.53) NPC1RAB9ATSHRSMN1; SMN2ABL1
SCHEMBL105413 0.75 TAS1R3 (0.53) NPC1RAB9ACNR2HPGDCYP2C9
SCHEMBL24960108 0.75 ABL1 (0.48) NPC1RAB9ATSHRSMN1; SMN2ABL1
SCHEMBL25093457 0.74 NPC1 (0.45) NPC1RAB9ATSHRSMN1; SMN2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 — — 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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 NPC1 1188/4885RAB9A 478/4885TSHR 120/4885

“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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