SCHEMBL4344616

SCHEMBL4344616

c1cc2c3c(c1)[C@@H]1CCC[C@@H]1N3CCNC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 1.00
HTR2B P41595 7/20 0.58
HTR2A P28223 4/20 0.48

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
SCHEMBL29434863 1.00 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL4354419 1.00 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL4352287 1.00 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL16168362 1.00 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL7229772 0.97 HTR2C (0.94) HTR2CHTR2BHTR2A
SCHEMBL20698202 0.97 HTR2C (0.94) HTR2CHTR2BHTR2A
SCHEMBL5633946 0.96 HTR2C (0.92) HTR2CHTR2BHTR2A
SCHEMBL5394177 0.96 HTR2C (0.92) HTR2CHTR2BHTR2A
SCHEMBL5739227 0.87 HTR2C (0.78) HTR2CHTR2BHTR2A
SCHEMBL5739232 0.87 HTR2C (0.78) HTR2CHTR2BHTR2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281091-A1 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2009-11-12 US claimed
EP-1998773-A2 NEW THERAPEUTIC COMBINATIONS FOR THE TREATMENT OF DEPRESSION Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
US-20070238725-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH (US) 2007-10-11 US claimed
WO-2007112014-A2 NEW THERAPEUTIC COMBINATIONS FOR THE TREATMENT OF DEPRESSION WYETH (US) 2007-10-04 WO claimed
US-20070225277-A1 Treatment of pain WYETH (US) 2007-09-27 US claimed
US-20070225279-A1 Therapeutic combinations for the treatment of depression WYETH (US) 2007-09-27 US claimed
US-20070225278-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US claimed
US-20070225274-A1 Methods for modulating bladder function WYETH (US) 2007-09-27 US claimed
US-20090281091-A1 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2009-11-12 US disclosed
EP-1998782-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP 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-20070238725-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH (US) 2007-10-11 US disclosed
WO-2007112073-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2007-10-04 WO 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-20020062022-A1 Processes for preparation of cyclopenta [b] [1,4] diazepino [6,7,1-hi] indoles and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-05-23 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 (9 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 HTR2C 14/4885HTR2B 17/4885HTR2A 32/4885
US-20070238725-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders SLC6A3, GRIN2A, GRIN2C HTR2C 700/4885HTR2B 933/4885HTR2A 847/4885
US-20090281091-A1 METHODS FOR MODULATING BLADDER FUNCTION PDE3A, PDE3B, PDE2A HTR2C 1494/4885HTR2B 1580/4885HTR2A 1749/4885
US-20070225279-A1 Therapeutic combinations for the treatment of depression BDNF, GRIN2A, GRIN3A HTR2C 172/4885HTR2B 252/4885HTR2A 157/4885
US-20020062022-A1 Processes for preparation of cyclopenta [b] [1,4] diazepino [6,7,1-hi] indoles and derivatives AHR, HTR1A, IDO1 HTR2C 40/4885HTR2B 21/4885HTR2A 42/4885
US-20070225277-A1 Treatment of pain OPRL1, OPRK1, OPRM1 HTR2C 894/4885HTR2B 973/4885HTR2A 868/4885
US-20070225274-A1 Methods for modulating bladder function PDE3A, PDE3B, PDE2A HTR2C 1494/4885HTR2B 1580/4885HTR2A 1749/4885
US-20070225278-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE HTR2C 25/4885HTR2B 69/4885HTR2A 31/4885
US-20080009480-A1 CYCLOPENTA[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES CNR1, HCRTR1, HTR3C HTR2C 21/4885HTR2B 16/4885HTR2A 34/4885

“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.