SCHEMBL22109261

SCHEMBL22109261

CC1=CN(C(=O)OC(C)(C)C)C2CC=CC=C12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
KMT2A Q03164 2/20 0.32
GPR119 Q8TDV5 7/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PREP P48147 1/20 0.30
MEN1 O00255 1/20 0.30
USP30 Q70CQ3 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL16359587 0.71 ATM (0.35) GPR119NPC1ALDH1A1MAPTKDM4E
SCHEMBL30900387 0.68 KDM4E (0.34) KMT2AGPR119CHRM2CHRM1CHRM3
SCHEMBL18071798 0.64 MAPT (0.40) KMT2AGPR119CHRM2CHRM1CHRM3
SCHEMBL12852082 0.62 USP2 (0.40) GLAKMT2AGPR119CHRM2CHRM1
SCHEMBL11983583 0.62 USP2 (0.40) GLAKMT2AGPR119CHRM2CHRM1
SCHEMBL17654928 0.62 GLA (0.37) GLAKMT2AGPR119CHRM2CHRM1
SCHEMBL5556528 0.61 MAPT (0.47) KMT2AGPR119NPC1ALDH1A1MAPT
SCHEMBL28135815 0.61 CHRM2 (0.40) GLAGPR119CHRM2CHRM1CHRM3
SCHEMBL30073714 0.61 GLA (0.44) GLAKMT2AGPR119CHRM2CHRM1
SCHEMBL30921590 0.61 KDM1A (0.34) GPR119PREP

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-11167048-B2 Dual targeting ligand for cancer diagnosis and treatment THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2021-11-09 US disclosed
US-20200188539-A1 NOVEL DUAL TARGETING LIGAND FOR CANCER DIAGNOSIS AND TREATMENT THE CURATORS OF THE UNIVERSITY OF MISSOURI 2020-06-18 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 (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-20200188539-A1 NOVEL DUAL TARGETING LIGAND FOR CANCER DIAGNOSIS AND TREATMENT KLK3, GRPR, FOLH1 GLA 1702/4885KMT2A 3061/4885GPR119 36/4885
US-11167048-B2 Dual targeting ligand for cancer diagnosis and treatment KLK3, GRPR, FOLH1 GLA 1127/4885KMT2A 3020/4885GPR119 71/4885

“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.