SCHEMBL22358226

SCHEMBL22358226

Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nc(-c5ccc6c(C)nn(C)c6c5)no4)CC3)CC2=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 14/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40
▸ TUBA1A Q71U36 2/20 0.40
▸ TUBA1C Q9BQE3 2/20 0.40
▸ TUBB6 Q9BUF5 2/20 0.40
▸ TUBB2B Q9BVA1 2/20 0.40
▸ TUBB1 Q9H4B7 2/20 0.40
▸ MAPT P10636 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
SCHEMBL22357808 1.00 GRM5 (0.42) GRM5ALDH1A1POLBSMN1; SMN2TUBB4A
SCHEMBL22357847 1.00 GRM5 (0.42) GRM5ALDH1A1POLBSMN1; SMN2TUBB4A
SCHEMBL22357841 0.94 GRM5 (0.40) GRM5ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL22358090 0.91 GRM5 (0.41) GRM5ALDH1A1POLBSMN1; SMN2TUBB4A
SCHEMBL22358125 0.89 GRM5 (0.43) GRM5ALDH1A1POLBSMN1; SMN2TUBB4A
SCHEMBL20116106 0.88 GRM5 (0.47) GRM5SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL20116103 0.88 GRM5 (0.47) GRM5SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL30506241 0.88 GRM5 (0.47) GRM5SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL20116104 0.88 GRM5 (0.47) GRM5SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL30506344 0.88 GRM5 (0.47) GRM5SMN1; SMN2TUBB4ATUBBTUBA3C

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 68/4885ALDH1A1 656/4885POLB 3788/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885ALDH1A1 656/4885POLB 3788/4885

“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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