SCHEMBL22358087

SCHEMBL22358087

O=C(C1CC(=O)N(c2ccccc2)C1)N1CCC(c2nc(-c3ccc4nonc4c3)no2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.52
▸ HSD11B1 P28845 4/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43

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
SCHEMBL20116084 0.87 HTT (0.56) GRM5NPC1TSHRMAPTLMNA
SCHEMBL30506275 0.87 HTT (0.56) GRM5NPC1TSHRMAPTLMNA
SCHEMBL20115990 0.87 HTT (0.56) GRM5NPC1TSHRMAPTLMNA
SCHEMBL20117009 0.87 HTT (0.56) GRM5NPC1TSHRMAPTLMNA
SCHEMBL30506221 0.87 HTT (0.56) GRM5NPC1TSHRMAPTLMNA
SCHEMBL22357804 0.86 GRM5 (0.52) GRM5HSD11B1NPC1SMN1; SMN2ALDH1A1
SCHEMBL20117219 0.85 GRM5 (0.50) GRM5HSD11B1NPC1SMN1; SMN2ALDH1A1
SCHEMBL22357934 0.84 GRM5 (0.47) GRM5HSD11B1NPC1SMN1; SMN2ALDH1A1
SCHEMBL20116337 0.84 TP53 (0.51) GRM5NPC1TSHRMAPTLMNA
SCHEMBL20116332 0.84 TP53 (0.51) GRM5NPC1TSHRMAPTLMNA

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 68/4885HSD11B1 1676/4885NPC1 72/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885HSD11B1 1676/4885NPC1 72/4885

“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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