SCHEMBL13041368

SCHEMBL13041368

COC(=O)c1ccc(C2(C)OCCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MGLL Q99685 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46
PIM1 P11309 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL5616820 0.82 LMNA (0.43) RAB9ANPC1SMN1; SMN2TDP1MAPT
SCHEMBL28594804 0.81 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL23662414 0.81 LOXL2 (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL23883482 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL16057140 0.79 TSHR (0.55) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL13041369 0.78 MLYCD (0.46) SMN1; SMN2MAPTALDH1A1HPGDHSD17B10
SCHEMBL6973943 0.77 PDK2 (0.44) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL18759164 0.77 CPT1B (0.44) ALDH1A1TSHR
Fluoride SCHEMBL28205240 0.77 CA1 (0.76) RAB9ANPC1CA1CA2TDP1
SCHEMBL15956007 0.77 CA1 (0.53) RAB9ANPC1SMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584765-B2 Polycyclic amines as sigma receptor modulators Ecstasy LLC (US) 2023-02-21 US disclosed
CN-110662541-B Polycyclic amines as opioid receptor modulators 王晓冬 2023-02-10 CN disclosed
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2022-12-29 US disclosed
US-10676456-B2 Polycyclic amines as opioid receptor modulators Ecstasy LLC 2020-06-09 US disclosed
CN-110662541-A Polycyclic amines as opioid receptor modulators 王晓冬 2020-01-07 CN disclosed
WO-2018169818-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS WANG XIAODONG (US) 2018-09-20 WO disclosed
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2018-09-13 US disclosed
US-8765788-B2 Tricyclic inhibitors of hydroxysteroid dehydrogenases AMGEN INC. (US) 2014-07-01 US disclosed
US-8765788-B2 Tricyclic inhibitors of hydroxysteroid dehydrogenases AMGEN INC. (US) 2014-07-01 US disclosed
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 US disclosed
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 US disclosed
WO-2008156601-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2008-12-24 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 (5 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-10676456-B2 Polycyclic amines as opioid receptor modulators OPRM1, OPRL1, OPRK1 RAB9A 1956/4885NPC1 2545/4885SMN1; SMN2 1973/4885
US-11584765-B2 Polycyclic amines as sigma receptor modulators OPRM1, SIGMAR1, OPRK1 RAB9A 3280/4885NPC1 2182/4885SMN1; SMN2 2013/4885
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES HSD11B1, HSD3B1, HSD17B1 RAB9A 4529/4885NPC1 391/4885SMN1; SMN2 4324/4885
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 RAB9A 1956/4885NPC1 2545/4885SMN1; SMN2 1973/4885
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 RAB9A 1956/4885NPC1 2545/4885SMN1; SMN2 1973/4885

“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.