SCHEMBL22358358

SCHEMBL22358358

COc1ccc(-c2noc(C3CCN(C(=O)C4CC(=O)N(c5cccc(C#N)c5)C4)CC3)n2)cc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
SMO Q99835 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 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
SCHEMBL20117009 0.85 HTT (0.56) GRM5HTTMEN1CYP3A4CYP2C9
SCHEMBL30506221 0.85 HTT (0.56) GRM5HTTMEN1CYP3A4CYP2C9
SCHEMBL20116084 0.85 HTT (0.56) GRM5HTTMEN1CYP3A4CYP2C9
SCHEMBL20115990 0.85 HTT (0.56) GRM5HTTMEN1CYP3A4CYP2C9
SCHEMBL30506275 0.85 HTT (0.56) GRM5HTTMEN1CYP3A4CYP2C9
SCHEMBL20676702 0.85 GRM5 (0.42) GRM5TSHRLMNAALDH1A1
SCHEMBL20116359 0.85 GRM5 (0.42) GRM5TSHRLMNAALDH1A1
SCHEMBL20116351 0.85 GRM5 (0.42) GRM5TSHRLMNAALDH1A1
SCHEMBL20115993 0.81 GRM5 (0.53) GRM5HTTMEN1CYP3A4CYP2C9
SCHEMBL20116608 0.81 GRM5 (0.53) GRM5HTTMEN1CYP3A4CYP2C9

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 3 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

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 GRM5 68/4885HTT 6/4885MEN1 1807/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885HTT 6/4885MEN1 1807/4885

“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.