SCHEMBL6637296

SCHEMBL6637296

Nc1cc(F)cc2c1OCC2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.59
HTR1A P08908 3/20 0.32
SLC6A4 P31645 2/20 0.32
NR3C1 P04150 2/20 0.32
PGR P06401 2/20 0.32
NR3C2 P08235 2/20 0.32
DYRK1A Q13627 1/20 0.31
PRKCI P41743 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
SCHEMBL29661355 1.00 PARP1 (0.59) PARP1HTR1ASLC6A4NR3C1PGR
SCHEMBL6635190 0.89 PARP1 (0.47) PARP1HTR1ASLC6A4
SCHEMBL12078457 0.79 PARP1 (0.58) PARP1HTR1ASLC6A4NR3C1PGR
SCHEMBL4100100 0.76 PARP1 (0.39) PARP1NR3C1PGRNR3C2DYRK1A
SCHEMBL2464027 0.76 PARP1 (0.39) PARP1NR3C1PGRNR3C2DYRK1A
SCHEMBL30467095 0.76 PARP1 (0.39) PARP1NR3C1PGRNR3C2DYRK1A
SCHEMBL30768351 0.76 PARP1 (0.39) PARP1NR3C1PGRNR3C2DYRK1A
SCHEMBL4107808 0.76 PARP1 (0.39) PARP1DYRK1A
SCHEMBL30695888 0.76 PARP1 (0.39) PARP1DYRK1A
SCHEMBL7479006 0.76 PARP1 (0.59) PARP1HTR1ASLC6A4NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-18 US disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 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 (1 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-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 PARP1 2402/4885HTR1A 9/4885SLC6A4 43/4885

“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.