SCHEMBL20914962

SCHEMBL20914962

CC(C)(C)OC(=O)N1CCc2c[c]ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.43
▸ CHRM4 P08173 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ UCHL1 P09936 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL19639063 0.92 BRD4 (0.45) GPR119ESR2NR1H2KDM1AUCHL1
SCHEMBL26609193 0.89 CHRM4 (0.43) GPR119CHRM4DRD2HTR7ESR2
SCHEMBL19639057 0.81 BRD4 (0.42) GPR119CHRM4DRD2HTR7ESR2
SCHEMBL30900483 0.80 NOTUM (0.61) KDM1ANOTUMNPC1RAB9AL3MBTL1
SCHEMBL552069 0.80 NOTUM (0.61) KDM1ANOTUMNPC1RAB9AL3MBTL1
SCHEMBL1165734 0.79 NOTUM (0.60) NOTUMNPC1RAB9A
SCHEMBL952312 0.77 ESR2 (0.62) GPR119ESR2NR1H2HDAC1
SCHEMBL3899182 0.76 ESR2 (0.61) GPR119CHRM4DRD2HTR7ESR2
SCHEMBL8200750 0.76 NOTUM (0.64) GPR119DRD2ESR2DHODHNOTUM
SCHEMBL13656966 0.76 GPR119 (0.47) GPR119DRD2ESR2DHODHNOTUM

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-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-23 — — US disclosed
US-20190119277-A1 VINBLASTINE 20' AMIDES: SYNTHETIC ANALOGS THAT MAINTAIN OR IMPROVE POTENCY AND SIMULTANEOUSLY OVERCOME Pgp-DERIVED EFFLUX AND RESISTANCE THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 — — 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-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance ABCG2, ABCC1, GLS GPR119 3327/4885CHRM4 3872/4885DRD2 259/4885
US-20190119277-A1 VINBLASTINE 20' AMIDES: SYNTHETIC ANALOGS THAT MAINTAIN OR IMPROVE POTENCY AND SIMULTANEOUSLY OVERCOME Pgp-DERIVED EFFLUX AND RESISTANCE ABCG2, ABCC1, GLS GPR119 3336/4885CHRM4 3881/4885DRD2 259/4885

“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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