SCHEMBL20116339

SCHEMBL20116339

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4cnn(C(C)(C)CO)c4c3)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
HDAC4 P56524 2/20 0.43
HTT P42858 1/20 0.42
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL20116421 0.92 SMO (0.46) SMOGPR119HDAC4HTT
SCHEMBL22357898 0.89 GPR119 (0.47) SMOGPR119HDAC4NR1H4
SCHEMBL22357895 0.86 GPR119 (0.45) SMOGPR119HDAC4
SCHEMBL22358247 0.86 GPR119 (0.54) SMOGPR119HDAC4
SCHEMBL22357927 0.85 GPR119 (0.45) SMOGPR119HDAC4HTT
SCHEMBL22358003 0.85 GPR119 (0.44) SMOGPR119HDAC4NR1H4
SCHEMBL20116621 0.85 GPR119 (0.50) SMOGPR119HDAC4
SCHEMBL20116323 0.85 GPR119 (0.52) SMOGPR119HDAC4
SCHEMBL22358127 0.85 GPR119 (0.47) SMOGPR119HDAC4HTTNR1H4
SCHEMBL20116860 0.84 NR1H4 (0.46) SMOHTTNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 SMO 1858/4885GPR119 2922/4885HDAC4 496/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMO 1858/4885GPR119 2922/4885HDAC4 496/4885

“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.