SCHEMBL5111854

SCHEMBL5111854

CC=Cc1c(N)ccc2c1OC(COS(=O)(=O)c1ccc(C)cc1)CO2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CA2 P00918 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR6 P50406 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
STAT3 P40763 1/20 0.30
POLB P06746 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
SCHEMBL5111847 1.00 LMNA (0.38) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6777770 1.00 LMNA (0.38) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5113554 1.00 LMNA (0.38) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7676015 0.88 LMNA (0.42) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6764944 0.87 LMNA (0.41) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5765746 0.86 LMNA (0.41) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6746121 0.86 LMNA (0.41) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL13927897 0.86 LMNA (0.39) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7239772 0.86 LMNA (0.39) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7239780 0.86 LMNA (0.39) LMNACA2SMN1; SMN2ALDH1A1CYP3A4

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-7381723-B2 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2008-06-03 US disclosed
US-20050085475-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists WYETH (US) 2005-04-21 US disclosed
US-6815448-B2 FOR THERAPY OF OGNITIVE DEFICITS DUE TO AGING, STROKE, HEAD TRAUMA, ALZHEIMER'S DISEASE OR OTHER NEURODEGENERATIVE DISEASES, OR SCHIZOPHRENIA; ANXIETY, AGGRESSION AND STRESS, AND FOR THE CONTROL OF VARIOUS PHYSIOLOGICAL PHENOMENA WYETH 2004-11-09 US disclosed
US-6800648-B2 SCHIZOPHRENIA, BIPOLAR DISORDERS, PARKINSON'S DISEASE; DRUG ABRUSE WYETH 2004-10-05 US disclosed
EP-1392700-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALENE WYETH CORP (US) 2004-09-29 EP disclosed
US-6780860-B2 FOR THERAPY OF COGNITIVE DYSFUNCTION, NEURODEGENERATIVE DISEASE, OR SCHIZOPHRENIA WYETH 2004-08-24 US disclosed
US-6617334-B2 Inhibiting the reuptake of serotonin in a subject suffering from postraumatic stress, ADD, premenstrual dysphoria, obesity, eating disorder, vasomotor flushing, cocaine and alcohol addiction, and sexual dysfunction WYETH 2003-09-09 US disclosed
US-6613913-B2 Intermediate for antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta [a]naphthalene WYETH 2003-09-02 US disclosed
US-20030134871-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE WYETH 2003-07-17 US disclosed
US-20030109562-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH 2003-06-12 US disclosed
US-6525075-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-02-25 US disclosed
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2002-12-19 US disclosed
US-20020183336-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists AMERICAN HOME PRODUCTS CORPORATION 2002-12-05 US disclosed
US-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
WO-2002090362-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-14 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 (6 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-20030109562-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta[a]naphthalene OPRD1, HTR1A, HTR1D LMNA 3605/4885CA2 4615/4885SMN1; SMN2 1769/4885
US-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene OPRD1, HTR1A, HTR1D LMNA 3605/4885CA2 4615/4885SMN1; SMN2 1769/4885
US-20030134871-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE OPRD1, HTR1A, HTR1D LMNA 3605/4885CA2 4615/4885SMN1; SMN2 1769/4885
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists HTR1A, HTR5A, HTR1D LMNA 3767/4885CA2 4510/4885SMN1; SMN2 964/4885
US-20020183336-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists HTR1A, HTR5A, HTR1D LMNA 2591/4885CA2 4702/4885SMN1; SMN2 526/4885
US-20050085475-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists HTR1A, HTR5A, HTR1B LMNA 2330/4885CA2 4691/4885SMN1; SMN2 489/4885

“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.