SCHEMBL5519401

SCHEMBL5519401

c1cc2[nH]ncc2c2c1OCCO2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
USP9X Q93008 1/20 0.38
NOS1 P29475 3/20 0.38
AXL P30530 2/20 0.38
CREBBP Q92793 2/20 0.36
TRPV1 Q8NER1 3/20 0.36
SYK P43405 2/20 0.36
MAPK10 P53779 1/20 0.35
RIPK1 Q13546 1/20 0.35
METAP2 P50579 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
PIK3CG P48736 1/20 0.33

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
SCHEMBL26130378 0.75 HTR2A (0.42) IDO1CREBBPMAPK10RIPK1ADRA2A
SCHEMBL6774282 0.71 HTR1A (0.32) IDO1NOS1AXLCREBBP
SCHEMBL12321248 0.71 NOS1 (0.56) IDO1NOS1AXLMETAP2
SCHEMBL3900178 0.70 ADRA2A (0.39) CREBBPADRA2AADRA2CADRA1DADRA1A
SCHEMBL30724080 0.70 ESR2 (0.40) IDO1TRPV1
SCHEMBL26130886 0.68 CYP1A2 (0.38) IDO1NOS1AXLCREBBPMETAP2
SCHEMBL19776166 0.67 ALDH1A1 (0.42) SYKADRA2AADRA2CADRA1DADRA1A
SCHEMBL15541079 0.66 CHEK1 (0.50) IDO1NOS1AXLSYKMAPK10
SCHEMBL4537537 0.64 ADRA2A (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3968484 0.64 IDO1 (0.44) IDO1ADRA2AADRA2CADRA1DADRA1A

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
WO-2007120596-A1 DIHYDRO[1,4]DIOXINO[2,3-e]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
US-20070244179-A1 Dihydro[1,4]dioxino[2,3-e]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-20070244179-A1 Dihydro[1,4]dioxino[2,3-e]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-6800641-B2 FOR THERAPY OF SCHIZOPHRENIA, SCHIZOAFFECTIVE DISORDER, BIPOLAR DISORDER, PARKINSON'S DISEASE, L-DOPA INDUCED PSYCHOSES OR DYSKINESIAS, TOURETTE'S SYNDROME, HYPERPROLACTINEMIA, OR ADDICTION TO ETHANOL, NICOTINE, COCAINE WYETH 2004-10-05 US disclosed
US-6800641-B2 FOR THERAPY OF SCHIZOPHRENIA, SCHIZOAFFECTIVE DISORDER, BIPOLAR DISORDER, PARKINSON'S DISEASE, L-DOPA INDUCED PSYCHOSES OR DYSKINESIAS, TOURETTE'S SYNDROME, HYPERPROLACTINEMIA, OR ADDICTION TO ETHANOL, NICOTINE, COCAINE WYETH 2004-10-05 US disclosed
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
WO-2002088133-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-2,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 WO disclosed
WO-2002088133-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-2,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 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 (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-20070244179-A1 Dihydro[1,4]dioxino[2,3-e]indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR3A IDO1 41/4885USP9X 2330/4885NOS1 1224/4885
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene SNCA, SYNJ1, SLC6A3 IDO1 1371/4885USP9X 3669/4885NOS1 2846/4885

“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.