SCHEMBL4865387

SCHEMBL4865387

Nn1c2c(c3ccccc31)CC=C2

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL24611521 0.88 GPR3 (0.31) GPR3HTR2AHTR2C
SCHEMBL12957802 0.82 ACHE (0.32) CA1CA2HTR2AHTR2C
SCHEMBL15722716 0.78 GPR3 (0.48) GPR3HTR2AHTR2C
SCHEMBL23193209 0.74 — —
SCHEMBL4872138 0.72 KDM4E (0.45) —
SCHEMBL4868842 0.70 MAOA (0.36) GPR3HTR2AHTR2C
SCHEMBL4870982 0.70 ALDH1A1 (0.44) CA1CA2
SCHEMBL22506820 0.70 ACHE (0.31) CA1CA2HTR2AHTR2C
SCHEMBL22298378 0.68 GPR3 (0.45) GPR3HTR2AHTR2C
SCHEMBL257566 0.67 GPR3 (0.52) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141563-B2 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi] indole derivatives WYETH (US) 2006-11-28 — — US claimed
US-20020058689-A1 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi]indole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-05-16 — — US claimed
US-7351839-B2 Process for the preparation of 1,2,3,4,8,9,10, 10a-octahydro-7bH-cyclopenta[b][1,4]diazepino-[6,7,1-hi]indole derivatives WYETH (US) 2008-04-01 — — US disclosed
US-20070066676-A1 Process for the preparation of 1,2,3,4,8,9,10, 10a-octahydro-7bH-cyclopenta[b][1,4]diazepino-[6,7,1-hi]indole derivatives WYETH (US) 2007-03-22 — — US disclosed
US-7141563-B2 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi] indole derivatives WYETH (US) 2006-11-28 — — US disclosed
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 — — EP disclosed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 — — EP disclosed
WO-2002042304-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH (US) 2002-05-30 — — WO disclosed
US-20020058689-A1 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi]indole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-05-16 — — 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-20020058689-A1 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi]indole derivatives HRH3, HTR1A, HTR7 GPR3 203/4885CA1 1302/4885CA2 1307/4885
US-20070066676-A1 Process for the preparation of 1,2,3,4,8,9,10, 10a-octahydro-7bH-cyclopenta[b][1,4]diazepino-[6,7,1-hi]indole derivatives HRH4, HRH3, AHR GPR3 104/4885CA1 1355/4885CA2 759/4885

“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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