SCHEMBL4834202

SCHEMBL4834202

O=C(O)c1ccc([N+]2([O-])CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
SRD5A2 P31213 3/20 0.41
CA12 O43570 2/20 0.40
CA3 P07451 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
TYR P14679 1/20 0.40
DRD1 P21728 1/20 0.40
CA4 P22748 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
TPMT P51580 1/20 0.39

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
SCHEMBL6986169 0.93 BCL2L1 (0.46) TSHRTP53CA1CA2SRD5A2
SCHEMBL2036814 0.83 KMT2A (0.44) TSHRALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL7561734 0.79 KMO (0.45) TSHRTP53CA1CA2CA12
Terephthalic Acid SCHEMBL27613025 0.76 TSHR (0.80) TSHRTP53CA1CA2SRD5A2
Terephthalic Acid SCHEMBL28261396 0.76 TSHR (0.80) TSHRTP53CA1CA2SRD5A2
Terephthalic Acid SCHEMBL448283 0.76 TSHR (0.80) TSHRTP53CA1CA2SRD5A2
SCHEMBL3984911 0.75 KMT2A (0.36) CA1CA2CA12CA3CA5A
SCHEMBL76560 0.74 LMNA (0.32) ALDH1A1HTT
Terephthalic Acid SCHEMBL20240891 0.73 TSHR (0.75) TSHRTP53CA1CA2SRD5A2
Terephthalic Acid SCHEMBL5907979 0.73 TSHR (0.75) TSHRTP53CA1CA2SRD5A2

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-7384943-B2 Substituted chroman derivatives ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-20060223828-A1 piperidyl- or piperazinyl-substituted dihydro-2H-1-benzopyran derivatives; serotonin h5-HT1B receptor antagonist; regulate the synaptic concentration of serotonin by controlling the amount of 5-HT that is released; anxiolitic, antidepressant BERG STEFAN 2006-10-05 US disclosed
US-7056921-B2 Substituted chroman derivatives ASTRAZANECA AB (SE) 2006-06-06 US disclosed
US-20040157857-A1 Substituted chroman derivatives BERG STEFAN (SE) 2004-08-12 US disclosed
US-6670359-B2 Such as (S)-N-(5-(4-Methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl)-4 -morpholinobenzamide for treatment of mood/anxiety/eating disorders ASTRAZENECA AB (SE) 2003-12-30 US disclosed
EP-1025095-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP disclosed
US-20030100556-A1 Substituted chroman derivatives BERG STEFAN (SE) 2003-05-29 US disclosed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6479497-B1 COMPOUNDS HAVING A SELECTIVE EFFECT AT A SUBGROUP OF 5-HYDROXYTRYPTAMINE RECEPTORS, DESIGNATED THE H5-HT1B RECEPTOR ASTRAZENECA AB (SE) 2002-11-12 US disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US disclosed
EP-1025095-A1 SUBSTITUTED CHROMAN DERIVATIVES AstraZeneca AB (SE) 2000-08-09 EP disclosed
WO-1999014212-A1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 WO disclosed
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 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 (3 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-20030100556-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 TSHR 513/4885TP53 4311/4885CA1 3678/4885
US-20060223828-A1 piperidyl- or piperazinyl-substituted dihydro-2H-1-benzopyran derivatives; serotonin h5-HT1B receptor antagonist; regulate the synaptic concentration of serotonin by controlling the amount of 5-HT that is released; anxiolitic, antidepressant HTR2B, HTR2C, HTR2A TSHR 243/4885TP53 4876/4885CA1 3525/4885
US-20040157857-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 TSHR 513/4885TP53 4311/4885CA1 3678/4885

“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.