SCHEMBL4863503

SCHEMBL4863503

NC(=O)CN1c2ccccc2C2CCCC21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.49
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HSD11B1 P28845 4/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ KCNN4 O15554 2/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL14197457 0.85 HRH1 (0.49) HRH1DRD2DRD4CREBBPHDAC6
SCHEMBL4862162 0.77 HRH1 (0.49) HRH1DRD2DRD4CREBBPHDAC6
Fumaric Acid SCHEMBL7647902 0.76 HRH1 (0.44) HRH1DRD2DRD4CREBBPHDAC6
Fumaric Acid SCHEMBL5017861 0.76 HRH1 (0.44) HRH1DRD2DRD4CREBBPHDAC6
Fumaric Acid SCHEMBL5017856 0.76 HRH1 (0.44) HRH1DRD2DRD4CREBBPHDAC6
Fumaric Acid SCHEMBL7647905 0.76 HRH1 (0.44) HRH1DRD2DRD4CREBBPHDAC6
SCHEMBL14197429 0.74 HRH1 (0.52) HRH1DRD2HDAC6
SCHEMBL17075141 0.73 ALDH1A1 (0.39) DRD2DRD4CYP2C19CREBBPCHRM2
SCHEMBL11359103 0.73 HRH1 (0.58) HRH1DRD2DRD4CREBBPHDAC6
SCHEMBL14197432 0.73 HRH1 (0.48) HRH1DRD2DRD4CREBBPHDAC6

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 23 patents — showing the first 20. 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-20080009480-A1 CYCLOPENTA[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2008-01-10 — — US disclosed
US-20080009480-A1 CYCLOPENTA[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2008-01-10 — — US disclosed
US-7271163-B2 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives WYETH (US) 2007-09-18 — — US disclosed
US-7271163-B2 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives WYETH (US) 2007-09-18 — — 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
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 — — EP disclosed
US-6777407-B2 7BH-CYCLOPENTA(B)(1,4)DIAZEPINO(6, 7, 1-HI)INDOLE OR A SALT, USEFUL FOR TREATMENT OF SCHIZOPHRENIA, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, ANXIETY, PANIC DISORDER, OBESITY OR EPILEPSY WYETH 2004-08-17 — — US disclosed
US-6777407-B2 7BH-CYCLOPENTA(B)(1,4)DIAZEPINO(6, 7, 1-HI)INDOLE OR A SALT, USEFUL FOR TREATMENT OF SCHIZOPHRENIA, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, ANXIETY, PANIC DISORDER, OBESITY OR EPILEPSY WYETH 2004-08-17 — — US disclosed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 — — EP disclosed
US-20020107242-A1 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-08-08 — — US 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 (4 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-20020107242-A1 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives CNR1, HCRTR1, HTR3C HRH1 136/4885DRD2 48/4885DRD4 161/4885
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 5/4885DRD2 69/4885DRD4 86/4885
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 4/4885DRD2 60/4885DRD4 69/4885
US-20080009480-A1 CYCLOPENTA[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES CNR1, HCRTR1, HTR3C HRH1 62/4885DRD2 40/4885DRD4 107/4885

“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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