SCHEMBL7245981

SCHEMBL7245981

O=C(CCCN1CCc2c([nH]c3ccccc23)C1)c1ccc(F)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 3/20 0.68
▸ APAF1 O14727 1/20 0.67
▸ HTR1A P08908 2/20 0.61
▸ DRD2 P14416 2/20 0.61
▸ HTR2A P28223 2/20 0.61
▸ HRH1 P35367 2/20 0.61
▸ HTR2B P41595 2/20 0.61
▸ HTR7 P34969 1/20 0.61
▸ SIGMAR1 Q99720 1/20 0.59
▸ CDK4 P11802 1/20 0.59
▸ CCND1 P24385 1/20 0.59
▸ GRIN2B Q13224 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CACNA1F O60840 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CHRM4 P08173 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CHRM5 P08912 1/20 0.55

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
SCHEMBL7146651 0.92 APAF1 (0.80) DRD3APAF1HTR1ADRD2HTR2A
SCHEMBL11604609 0.81 APAF1 (0.98) DRD3APAF1HTR1ADRD2HTR2A
Biriperone SCHEMBL635469 0.81 DRD3 (1.00) DRD3APAF1SIGMAR1
SCHEMBL7249585 0.78 SIGMAR1 (0.74) HTR1ASIGMAR1GRIN2B
SCHEMBL28918971 0.78 KMT2A (0.54) SIGMAR1CDK4CCND1MEN1LMNA
SCHEMBL3034533 0.78 APAF1 (0.84) DRD3APAF1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL11846883 0.77 APAF1 (0.85) DRD3APAF1DRD2SIGMAR1GRIN2B
SCHEMBL10682684 0.77 SIGMAR1 (0.62) HTR1ASIGMAR1GRIN2B
SCHEMBL13942726 0.77 CDK4 (0.93) CDK4CCND1
SCHEMBL5787110 0.77 HDAC1 (0.74) HTR1ASIGMAR1GRIN2B

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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2003-07-31 — — US disclosed
US-6534522-B2 E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis WARNER-LAMBERT COMPANY 2003-03-18 — — US disclosed
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2001-12-13 — — US disclosed
US-6218404-B1 THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE WARNER-LAMBERT CO. 2001-04-17 — — US disclosed
WO-1997023458-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1997-07-03 — — 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 (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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 DRD3 604/4885APAF1 4113/4885HTR1A 144/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 DRD3 604/4885APAF1 4113/4885HTR1A 144/4885

“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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