SCHEMBL840756

SCHEMBL840756

O=C(O)c1ccc(OCC2CCCO2)nc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.60
MAPT P10636 1/20 0.51
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46

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
SCHEMBL839875 0.96 HCAR3 (0.56) HCAR3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL840841 0.93 MAPT (0.55) HCAR3MAPTNPC1RAB9AL3MBTL1
SCHEMBL840394 0.83 MAPT (0.50) HCAR3MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL565748 0.81 RAB9A (0.67) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL417903 0.81 RAB9A (0.67) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL417902 0.81 RAB9A (0.67) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795937 0.79 MAPT (0.61) HCAR3MAPTL3MBTL1
SCHEMBL840900 0.78 XDH (0.54) HCAR3MAPTL3MBTL1
SCHEMBL14988285 0.78 ALOX5AP (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1928151 0.78 GABRA5 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-2158198-B1 N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2013-03-20 EP disclosed
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-20120238579-A1 New Compounds 806 BESIDKI YEVGENI (SE) 2012-09-20 US 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-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-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
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
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
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 HCAR3 468/4885MAPT 2344/4885NPC1 960/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 HCAR3 2733/4885MAPT 1649/4885NPC1 76/4885

“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.