Sugi Predict

Sugi Predict / Compounds / SCHEMBL7541235

SCHEMBL7541235

SCHEMBL7541235

c1ccc(C[C@H]2CC[C@H](NCc3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.61
▸ GRIN1 Q05586 3/20 0.61
▸ IDO1 P14902 2/20 0.57
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ PKM P14618 1/20 0.48
▸ GRIN2A Q12879 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ HTR2B P41595 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ GID4 Q8IVV7 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42

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
SCHEMBL7081197 1.00 GRIN2B (0.61) GRIN2BGRIN1IDO1LMNAGAA
SCHEMBL7542055 1.00 GRIN2B (0.61) GRIN2BGRIN1IDO1LMNAGAA
SCHEMBL7083093 0.87 IDO1 (0.74) GRIN2BGRIN1IDO1GAARAB9A
SCHEMBL7338280 0.81 LMNA (0.75) IDO1LMNAGAARAB9ANPC1
SCHEMBL7082112 0.80 GRIN2B (0.54) GRIN2BGRIN1IDO1GAARAB9A
SCHEMBL1825671 0.79 IDO1 (0.79) GRIN2BGRIN1IDO1LMNAGAA
SCHEMBL26345929 0.76 GRIN2B (0.63) GRIN2BGRIN1IDO1LMNAGAA
SCHEMBL1388535 0.76 GRIN2B (1.00) GRIN2BGRIN1IDO1GRIN2AGRIN2C
SCHEMBL7083207 0.74 IDO1 (0.56) GRIN2BGRIN1IDO1GAAPKM
SCHEMBL7083210 0.74 IDO1 (0.56) GRIN2BGRIN1IDO1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495561-B2 TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE MERCK & CO., INC. 2002-12-17 — — US disclosed
US-20020055519-A1 2-cyclohexyl imidazopyridine NMDA/NR2B antagonists MERCK SHARP & DOHME CORP. 2002-05-09 — — US disclosed
US-6380205-B1 QUINAZOLINE THROUGH A C1-C4ALKYL, C1- C4ALKENYL, C1-C4ALKYNYL, C1-C4ALKOXY, AMINO, AMINOC1-C4ALKYL, HYDROXYC1-C4ALKYL, CARBONYL, CYCLOC3-C6ALKYL OR AMINOCARBONYL CHAIN, USEFUL FOR TREATMENT OF THE PAIN MERCK & CO., INC. 2002-04-30 — — US disclosed
US-20020032207-A1 2-Cyclohexyl quinazoline NMDA/NR2B antagonists MERCK & CO., INC. 2002-03-14 — — US disclosed
US-6291499-B1 TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE MERCK & CO., INC. 2001-09-18 — — 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-20020055519-A1 2-cyclohexyl imidazopyridine NMDA/NR2B antagonists GRIN2C, GRIN1, GRIN3A GRIN2B 5/4885GRIN1 2/4885IDO1 1613/4885
US-20020032207-A1 2-Cyclohexyl quinazoline NMDA/NR2B antagonists GRIN2C, GRIN1, GRIN3A GRIN2B 6/4885GRIN1 2/4885IDO1 2683/4885

“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.