SCHEMBL983021

SCHEMBL983021

O=C1CCN(C(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
CTRB1 P17538 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.52
NOTUM Q6P988 2/20 0.49
HTT P42858 1/20 0.49
P2RX4 Q99571 2/20 0.48
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
PARP1 P09874 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL17675590 0.93 RAB9A (0.64) RAB9ANPC1L3MBTL1CTRB1SMN1; SMN2
SCHEMBL3167334 0.85 RAB9A (0.57) RAB9ANPC1L3MBTL1CTRB1SMN1; SMN2
SCHEMBL3182929 0.84 NPC1 (0.56) RAB9ANPC1L3MBTL1CTRB1SMN1; SMN2
SCHEMBL5737141 0.83 NPC1 (0.55) RAB9ANPC1L3MBTL1CTRB1SMN1; SMN2
SCHEMBL22638725 0.83 NPC1 (0.63) RAB9ANPC1L3MBTL1CTRB1SMN1; SMN2
SCHEMBL13506550 0.82 NPC1 (0.54) RAB9ANPC1L3MBTL1CTRB1SMN1; SMN2
SCHEMBL7469639 0.82 NPC1 (1.00) RAB9ANPC1L3MBTL1SMN1; SMN2GAA
SCHEMBL30659283 0.82 NPC1 (1.00) RAB9ANPC1L3MBTL1SMN1; SMN2GAA
SCHEMBL2876191 0.81 NPC1 (0.53) RAB9ANPC1L3MBTL1CTRB1SMN1; SMN2
SCHEMBL2539997 0.80 NPC1 (0.67) RAB9ANPC1L3MBTL1CTRB1SMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964925-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES MITSUBISHI TANABE PHARMA CORP (JP) 2016-03-30 EP disclosed
EP-1941881-B1 Naphthalene derivatives for the treatment of dermatitis and psoriasis MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-13 EP disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-8754221-B2 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-17 US disclosed
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-12 US disclosed
EP-2371820-B1 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORP (JP) 2013-08-28 EP disclosed
US-8471028-B2 Optically active cyclic alcohol compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-25 US disclosed
EP-1944291-B1 Optically active cyclic alcohol compound and method for producing same MITSUBISHI TANABE PHARMA CORP (JP) 2012-06-13 EP disclosed
EP-2371820-A1 Optically active cyclic alcohol compound and method for preparing the same Mitsubishi Tanabe Pharma Corporation (JP) 2011-10-05 EP disclosed
US-7972836-B2 Method of enzymatic optical resolution of racemic 4-hydroxy-1,2,3,4-tetrahydroquinoline MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed
US-7868019-B2 Dermatitis treating agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-11 US disclosed
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20100130494-A1 DERMATITIS TREATING AGENT (AS AMENDED) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-27 US disclosed
US-20090269821-A1 Method for Preparing Optically Active 4-Hydroxy-1,2,3,4-Tetrahydroquinoline Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-29 US disclosed
EP-1964925-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-03 EP disclosed
EP-1944291-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PRODUCING SAME Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-16 EP disclosed
EP-1941881-A1 DERMATITIS REMEDIES TANABE SEIYAKU CO., LTD. (JP) 2008-07-09 EP 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 (4 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-20100130494-A1 DERMATITIS TREATING AGENT (AS AMENDED) AOX1, TLR7, MYD88 RAB9A 4726/4885NPC1 3420/4885L3MBTL1 4529/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 RAB9A 693/4885NPC1 738/4885L3MBTL1 2821/4885
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME ADH1C, ADH1A, ADH5 RAB9A 1609/4885NPC1 3168/4885L3MBTL1 3369/4885
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same ADH1C, ADH1A, ADH5 RAB9A 1609/4885NPC1 3168/4885L3MBTL1 3369/4885

“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.