SCHEMBL840708

SCHEMBL840708

OB(O)OC1CCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.64
GPR84 Q9NQS5 1/20 0.43
SLC6A4 P31645 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FFAR1 O14842 1/20 0.41
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL29077423 0.98 IDO1 (0.62) IDO1GPR84SLC6A4HTTALDH1A1
SCHEMBL29065699 0.91 IDO1 (0.54) IDO1GPR84SLC6A4HTTALDH1A1
SCHEMBL31235704 0.81 IDO1 (0.68) IDO1GPR84SLC6A4HTTALDH1A1
SCHEMBL298463 0.81 IDO1 (0.68) IDO1GPR84SLC6A4HTTALDH1A1
SCHEMBL15330041 0.81 IDO1 (0.72) IDO1GPR84SLC6A4HTT
SCHEMBL180403 0.81 IDO1 (0.72) IDO1GPR84SLC6A4HTT
SCHEMBL2472307 0.78 IDO1 (0.68) IDO1GPR84SLC6A4HTTFFAR1
SCHEMBL7710711 0.78 IDO1 (0.68) IDO1GPR84SLC6A4HTTALDH1A1
SCHEMBL12727345 0.78 IDO1 (0.68) IDO1GPR84SLC6A4HTTFFAR1
SCHEMBL31251494 0.78 IDO1 (0.68) IDO1GPR84SLC6A4HTTFFAR1

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-2158198-B1 N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2013-03-20 EP disclosed
US-20120238579-A1 New Compounds 806 BESIDKI YEVGENI (SE) 2012-09-20 US disclosed
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 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-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 IDO1 1611/4885GPR84 1139/4885SLC6A4 2816/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 IDO1 3537/4885GPR84 631/4885SLC6A4 3287/4885

“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.