SCHEMBL4872282

SCHEMBL4872282

N#CCN1c2ccccc2C2CCCC21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.48
▸ JAK3 P52333 1/20 0.37
▸ DRD2 P14416 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ HTR2C P28335 1/20 0.31

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
SCHEMBL14197432 0.84 HRH1 (0.48) HRH1JAK3DRD2DRD4HDAC6
SCHEMBL4862162 0.76 HRH1 (0.49) HRH1JAK3DRD2DRD4HDAC6
SCHEMBL14197429 0.76 HRH1 (0.52) HRH1DRD2HDAC6
SCHEMBL11359103 0.76 HRH1 (0.58) HRH1JAK3DRD2DRD4HDAC6
SCHEMBL8268024 0.75 ALDH1A1 (0.44) DRD2CREBBPOPRM1OPRD1OPRK1
SCHEMBL5880343 0.73 HDAC11 (0.47) HDAC6OPRM1OPRK1OPRL1SMN1; SMN2
SCHEMBL5880341 0.73 HDAC11 (0.47) HDAC6OPRM1OPRK1OPRL1SMN1; SMN2
SCHEMBL14197457 0.73 HRH1 (0.49) HRH1JAK3DRD2DRD4HDAC6
SCHEMBL5213286 0.73 HDAC11 (0.47) HDAC6OPRM1OPRK1OPRL1SMN1; SMN2
SCHEMBL5880328 0.73 HDAC11 (0.47) HDAC6OPRM1OPRK1OPRL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 — — EP claimed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 — — EP claimed
WO-2002042304-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH (US) 2002-05-30 — — WO 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-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-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 HRH1 5/4885JAK3 2502/4885DRD2 69/4885
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 HRH1 4/4885JAK3 821/4885DRD2 60/4885

“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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