SCHEMBL4227209

SCHEMBL4227209

N[C@H]1CCN(c2nc(-c3ccccc3)no2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.44
▸ HSD11B1 P28845 5/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HRH4 Q9H3N8 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
SCHEMBL4221421 0.86 MAPT (0.49) LMNANPC1RAB9A
SCHEMBL8271752 0.80 LMNA (0.46) HSD11B1LMNAMAPK1KCNH2CYP2D6
SCHEMBL12506166 0.80 GPR119 (0.51) HSD11B1LMNAGPR119NR1H4FAAH
SCHEMBL12490134 0.78 FAAH (0.47) NOTUMLMNANR1H4FAAHNPC1
SCHEMBL4234552 0.77 SMN1; SMN2 (0.48) HSD11B1LMNAFAAHRAB9A
SCHEMBL29040325 0.77 FAAH (0.47) HSD11B1LMNAFAAH
SCHEMBL14349266 0.75 ACACB (0.43) HSD11B1LMNAFAAHNPC1RAB9A
SCHEMBL4230456 0.75 POLB (0.43) NOTUMDPP4GPR119CKS1BSKP1
SCHEMBL27814281 0.75 HTT (0.58) NOTUMLMNAMAPK1NR1H4FAAH
SCHEMBL8272507 0.74 MEN1 (0.43) LMNARAB9A

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 7 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
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 — — US 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
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 NOTUM 4775/4885HSD11B1 2084/4885LMNA 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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