SCHEMBL6082020

SCHEMBL6082020

NCc1ccc2c3c(ccc2n1)CCCO3

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
GRM1 Q13255 2/20 0.32

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
SCHEMBL6007485 0.78 KDM4E (0.35)
SCHEMBL6082544 0.70 MAPT (0.47) ACHE
SCHEMBL2043096 0.68 ACHE (0.30) ACHE
SCHEMBL29951613 0.67
SCHEMBL28288771 0.66 EGFR (0.32) ACHE
SCHEMBL1971305 0.65 NFKB1 (0.40) ACHE
SCHEMBL29910203 0.65 NFKB1 (0.40) ACHE
SCHEMBL8249471 0.64 ADRA2A (0.47)
SCHEMBL14062929 0.64 PARP1 (0.41)
SCHEMBL27388678 0.63 ADRA2A (0.46)

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
US-7030245-B2 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenathrene WYETH (US) 2006-04-18 US disclosed
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-10-13 US disclosed
US-6930109-B2 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-08-16 US disclosed
US-6903110-B2 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-06-07 US disclosed
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH 2004-11-25 US disclosed
US-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2003-04-24 US disclosed
WO-2003010169-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7, 8-DIHYDRO-6H-5-OXA-1-AZA-PHENANTHRENE WYETH (US) 2003-02-06 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 (3 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-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 ACHE 2756/4885GRM1 344/4885
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 ACHE 2786/4885GRM1 336/4885
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene HTR5A, TPH1, CYP19A1 ACHE 2271/4885GRM1 493/4885

“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.