SCHEMBL4917828

SCHEMBL4917828

COc1ccc(CC(=O)NOCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.68
NPC1 O15118 2/20 0.68
HTT P42858 1/20 0.64
ALDH1A1 P00352 4/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PLAU P00749 1/20 0.62
ELANE P08246 1/20 0.62
CNR2 P34972 1/20 0.59
EGFR P00533 1/20 0.57
ERBB2 P04626 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
NLRP3 Q96P20 1/20 0.52

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
SCHEMBL7424713 0.87 NPC1 (0.62) RAB9ANPC1ALDH1A1EGFRL3MBTL1
SCHEMBL5169062 0.86 ALDH1A1 (0.62) RAB9ANPC1HTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL14812337 0.82 CNR2 (0.54) RAB9ANPC1ALDH1A1CNR2EGFR
SCHEMBL14821325 0.81 ITGB3 (0.59) ALDH1A1SMN1; SMN2
SCHEMBL14812072 0.81 EPHX2 (0.65) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL14812031 0.80 ITGB3 (0.58) ALDH1A1SMN1; SMN2
SCHEMBL7498475 0.79 RAB9A (0.63) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL14811905 0.79 EPHX2 (0.54) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL4928502 0.79 HTT (0.73) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL5862101 0.79 NPC1 (1.00) RAB9ANPC1HTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045726-A1 Spirolactams and Their Synthesis LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-21 US disclosed
US-7291728-B2 Spirolactams and their synthesis LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-11-06 US disclosed
EP-1771410-A1 SPIROLACTAMS AND THEIR SYNTHESIS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-04-11 EP disclosed
WO-2005108356-A1 SPIROLACTAMS AND THEIR SYNTHESIS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-17 WO disclosed
EP-1595865-A1 New spirolactams and their synthesis LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-16 EP disclosed
US-20050250759-A1 Spirolactams and their synthesis LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-10 US 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-20080045726-A1 Spirolactams and Their Synthesis VKORC1, VKORC1L1, DHPS RAB9A 3664/4885NPC1 2503/4885HTT 4166/4885
US-20050250759-A1 Spirolactams and their synthesis VKORC1, DHPS, SRI RAB9A 2631/4885NPC1 1478/4885HTT 3079/4885

“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.