SCHEMBL13141699

SCHEMBL13141699

COC(=O)N1CCN(c2ncccc2-c2cc(-c3cccc(F)c3)n[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 3/20 0.49
▸ MAPT P10636 4/20 0.47
▸ ALOX15 P16050 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL13893152 0.91 MAPT (0.47) TACR3MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL13141708 0.90 MAPT (0.50) TACR3MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL13141793 0.83 MAPT (0.48) TACR3MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL13141680 0.82 ALOX15 (0.54) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141675 0.81 KDM4E (0.48) TACR3MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL13141682 0.80 MAPT (0.51) TACR3MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL13141673 0.79 MAPT (0.46) TACR3MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL3086423 0.79 MAPT (0.47) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141670 0.75 CCNT1 (0.43) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141668 0.74 HTR6 (0.46) MAPTALOX15SMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES WU ZHICAI 2010-09-09 — — US disclosed
US-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES WU ZHICAI 2010-09-09 — — US disclosed
WO-2009051705-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2009-04-23 — — 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 (1 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-20100227845-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 TACR3 472/4885MAPT 4681/4885ALOX15 597/4885

“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.

Send feedback