SCHEMBL25464127

SCHEMBL25464127

C=C(NC1CCC1)C(C)(C)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ EPHX2 P34913 4/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CHRM3 P20309 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ KDM1A O60341 1/20 0.33

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
SCHEMBL25464167 0.77 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL25464131 0.72 CETP (0.34) NPC1RAB9AEPHX1HTTMEN1
SCHEMBL26394624 0.71 AKR1C3 (0.41) CYP3A4CYP2C9CHRM3MEN1KMT2A
SCHEMBL9967851 0.68 RAB9A (0.48) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL25464128 0.65 SMYD3 (0.44) NPC1RAB9ASMN1; SMN2HTTKMT2A
SCHEMBL25464079 0.65 GRM5 (0.50) NPC1RAB9ASMN1; SMN2EPHX2HTT
SCHEMBL1627216 0.64 AKR1C3 (0.64) NPC1RAB9ACYP3A4CYP2C9
SCHEMBL16544524 0.64 KDM1A (0.56) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL25460822 0.64 AKR1C3 (0.44) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL7472692 0.64 CNR1 (0.51) NPC1RAB9A

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-20230151074-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. 2023-05-18 — — 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-20230151074-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS GIPR, GLP1R, GCGR NPC1 2460/4885RAB9A 658/4885SMN1; SMN2 1966/4885

“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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