SCHEMBL3300908

SCHEMBL3300908

O=C(O)[C@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
NAMPT P43490 1/20 0.51
SLC18A3 Q16572 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
CES1 P23141 2/20 0.47
CES2 O00748 1/20 0.46
RHOA P61586 1/20 0.46
VCP P55072 1/20 0.45
TRPV6 Q9H1D0 1/20 0.44
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43
PGR P06401 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
P2RY14 Q15391 1/20 0.42
SRD5A2 P31213 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL3300911 1.00 NPC1 (0.58) NPC1RAB9ANAMPTSLC18A3TDP1
Hydrochloric Acid SCHEMBL9347470 0.98 NPC1 (0.57) NPC1RAB9ANAMPTSLC18A3TDP1
Hydrochloric Acid SCHEMBL9347478 0.98 NPC1 (0.57) NPC1RAB9ANAMPTSLC18A3TDP1
SCHEMBL15911925 0.86 SLC18A3 (0.57) NAMPTSLC18A3TDP1CES1TRPV6
SCHEMBL1066991 0.86 SLC18A3 (0.57) NAMPTSLC18A3TDP1CES1TRPV6
SCHEMBL9347459 0.85 NAMPT (0.50) NPC1RAB9ANAMPTSLC18A3TDP1
SCHEMBL3543089 0.81 MAPT (0.63) NAMPTSLC18A3TDP1MAPT
SCHEMBL3543093 0.81 MAPT (0.63) NAMPTSLC18A3TDP1MAPT
SCHEMBL13389548 0.81 SLC18A3 (0.61) NAMPTSLC18A3CES1TRPV6PGR
SCHEMBL3302063 0.81 SLC18A3 (0.61) NAMPTSLC18A3CES1TRPV6PGR

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
WO-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-0272580-B1 Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same WOJSKOWA AKAD TECH (PL) 1994-08-17 EP disclosed
CN-1022490-C Liquid crystal mixture BROTSKEY MILITARY TECHNOLOGY A (PL) 1993-10-20 CN disclosed
CN-87101284-A Preparation of liquid crystalline cyclohexylbenzene derivatives and novel nematic mixtures containing them BROTSKEY MILITARY TECHNOLOGY A (PL) 1988-12-14 CN disclosed
EP-0272580-A2 Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1988-06-29 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 (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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 NPC1 423/4885RAB9A 2923/4885NAMPT 165/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 NPC1 399/4885RAB9A 2977/4885NAMPT 161/4885
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 NPC1 630/4885RAB9A 1908/4885NAMPT 1146/4885

“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.