SCHEMBL7567926

SCHEMBL7567926

O=[N+]([O-])C1CCc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ANPEP P15144 4/20 0.41
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
NPY1R P25929 1/20 0.38
NPY5R Q15761 1/20 0.38
GRIN2B Q13224 1/20 0.38
HTR1A P08908 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL17974767 1.00 PLAU (0.47) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL17974765 1.00 PLAU (0.47) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL11742887 0.89 TSHR (0.41) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL5500714 0.86 IDO1 (0.38) PLAUCA1CA2ANPEP
SCHEMBL5657816 0.81 CYP2A6 (0.44) CYP19A1MAOAMAOB
SCHEMBL30150914 0.71 IDO1 (0.44) CA1CA2
SCHEMBL2115194 0.71 IDO1 (0.44) CA1CA2
SCHEMBL27842818 0.70
SCHEMBL8557409 0.69 NISCH (0.40) HTR1ATP53MAOB
SCHEMBL277274 0.69 PLAU (0.56) PLAUMTNR1AMTNR1BCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221981-A1 Processes for Preparing Medicaments for the Treatment of Cardiovascular Diseases and Intermediates for Use Therein BIAL-PORTELA & CA., S.A. (PT) 2016-08-04 US disclosed
WO-2012175654-A1 TETRALINE SULFONAMIDE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX (BE) 2012-12-27 WO disclosed
US-7671079-B2 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-03-02 US disclosed
US-20080085925-A1 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-04-10 US disclosed
US-7288561-B2 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-30 US disclosed
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
CN-1212682-A Aminotetralin derivatives and composition and method of use thereof ZENECA LTD (GB) 1999-03-31 CN disclosed
EP-0883599-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1998-12-16 EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 US disclosed
WO-1997031887-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1997-09-04 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-20080085925-A1 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 PLAU 4268/4885MTNR1A 46/4885MTNR1B 55/4885
US-20160221981-A1 Processes for Preparing Medicaments for the Treatment of Cardiovascular Diseases and Intermediates for Use Therein DBH, COMT, ADRB3 PLAU 1878/4885MTNR1A 53/4885MTNR1B 90/4885

“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.