SCHEMBL20116336

SCHEMBL20116336

CC(C)n1ncc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nn3)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 3/20 0.44
GPR119 Q8TDV5 7/20 0.41
HTT P42858 2/20 0.40
HPGDS O60760 1/20 0.40
PTGER3 P43115 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
PDE4B Q07343 1/20 0.39
LRRK2 Q5S007 1/20 0.38
USP30 Q70CQ3 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20116353 0.82 USP30 (0.54) TRPV3GPR119HPGDSCCNKCDK12
SCHEMBL22358020 0.82 GPR119 (0.44) GPR119HTTMEN1TSHRKMT2A
SCHEMBL22358218 0.82 GPR119 (0.44) GPR119HTTMEN1TSHRKMT2A
SCHEMBL22357886 0.82 GPR119 (0.44) GPR119HTTMEN1TSHRKMT2A
SCHEMBL20676229 0.80 TLR8 (0.54) GPR119HTT
SCHEMBL20676592 0.78 GPR119 (0.50) TRPV3GPR119HTTLRRK2
SCHEMBL22358271 0.78 PTGER3 (0.44) GPR119HTTHPGDSPTGER3LRRK2
SCHEMBL22358472 0.78 USP30 (0.48) GPR119HTTLRRK2USP30KDM4E
SCHEMBL22358127 0.78 GPR119 (0.47) GPR119HTTALDH1A1TSHR
SCHEMBL20116705 0.78 GRM5 (0.48) HTTMEN1ALDH1A1TSHRKMT2A

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 TRPV3 412/4885GPR119 2922/4885HTT 6/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TRPV3 412/4885GPR119 2922/4885HTT 6/4885

“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.