SCHEMBL4227170

SCHEMBL4227170

Cc1ccc(-c2noc(N3CC[C@H](NC(=O)O)C3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ POLB P06746 1/20 0.44

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
SCHEMBL4234552 0.91 SMN1; SMN2 (0.48) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL8271227 0.87 HDAC4 (0.49) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL14375996 0.79 CKS1B (0.56) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL14349357 0.79 CKS1B (0.56) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL4221421 0.78 MAPT (0.49) SMN1; SMN2MAPTLMNATSHRHTT
SCHEMBL14349266 0.75 ACACB (0.43) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL30585004 0.74 SMN1; SMN2 (0.69) SMN1; SMN2MAPTLMNAHTTMEN1
SCHEMBL4225663 0.73 PAK1 (0.55) —
SCHEMBL8272507 0.72 MEN1 (0.43) SMN1; SMN2MAPTLMNAHTTMEN1
SCHEMBL31546452 0.72 LMNA (0.81) SMN1; SMN2MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797094-A4 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2009-06-03 — — EP disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 — — US disclosed
EP-1797094-A2 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS Merck & Co. Inc. (US) 2007-06-20 — — EP disclosed
WO-2006017409-A2 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2006-02-16 — — 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 (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-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 SMN1; SMN2 1128/4885MAPT 1029/4885LMNA 4298/4885

“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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