SCHEMBL22358109

SCHEMBL22358109

Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)C5CC(=O)N(c6ccc(C#N)cc6)C5)CC4)n3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 17/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL20116503 0.91 GRM5 (0.47) GRM5SMN1; SMN2KCNH2
SCHEMBL30506351 0.91 GRM5 (0.47) GRM5SMN1; SMN2KCNH2
SCHEMBL22357987 0.90 GRM5 (0.42) GRM5MAPTLMNAHTTSMN1; SMN2
SCHEMBL30506234 0.90 GRM5 (0.42) GRM5MAPTLMNAHTTSMN1; SMN2
SCHEMBL22357986 0.90 GRM5 (0.42) GRM5MAPTLMNAHTTSMN1; SMN2
SCHEMBL20116654 0.90 GRM5 (0.42) GRM5MAPTLMNAHTTSMN1; SMN2
SCHEMBL22357853 0.82 GRM5 (0.42) GRM5KCNH2
SCHEMBL22358113 0.82 GRM5 (0.42) GRM5KCNH2
SCHEMBL22357845 0.82 GRM5 (0.42) GRM5KCNH2
SCHEMBL22358157 0.80 GRM5 (0.51) GRM5LMNASMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885MAPT 22/4885LMNA 1966/4885

“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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