SCHEMBL16083145

SCHEMBL16083145

COc1cc(C)ccc1OCC(=O)NC1CCC(NC(=O)COc2ccc(C)cc2OC)CC1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.88
RAB9A P51151 2/20 0.88
HPGD P15428 5/20 0.70
LMNA P02545 2/20 0.70
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.60
LDHA P00338 1/20 0.58
KDM4E B2RXH2 2/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL18715504 1.00 NPC1 (0.88) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL25893683 0.95 NPC1 (0.80) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL17656858 0.95 RAB9A (0.80) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL17656863 0.89 NPC1 (0.70) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL17656857 0.87 LMNA (0.90) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL16083179 0.86 NPC1 (0.70) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL8374096 0.85 NPC1 (0.66) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL7836682 0.84 NPC1 (0.65) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL29952871 0.84 ALDH1A1 (0.70) NPC1RAB9AHPGDLMNAALDH1A1
SCHEMBL17656860 0.82 SMN1; SMN2 (0.68) NPC1RAB9AHPGDLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968347-B1 MODULATORS OF THE EIF2ALPHA PATHWAY UNIV CALIFORNIA (US) 2023-08-02 EP disclosed
US-11220477-B2 Modulators of the eIF2alpha pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-11 US disclosed
US-10343981-B2 Modulators of the eIF2alpha pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-09 US disclosed
US-20170342020-A1 MODULATORS OF THE EIF2ALPHA PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-11-30 US disclosed
US-9708247-B2 Modulators of the eIF2alpha pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-18 US disclosed
US-20160096800-A1 MODULATORS OF THE EIF2ALPHA PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-04-07 US disclosed
WO-2014144952-A2 MODULATORS OF THE EIF2ALPHA PATHWAY WALTER PETER (US) 2014-09-18 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 (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-20170342020-A1 MODULATORS OF THE EIF2ALPHA PATHWAY EIF2AK1, EIF2A, EIF2AK3 NPC1 2144/4885RAB9A 2447/4885HPGD 2703/4885
US-11220477-B2 Modulators of the eIF2alpha pathway EIF2AK1, EIF2A, EIF2AK3 NPC1 2144/4885RAB9A 2447/4885HPGD 2703/4885
US-20160096800-A1 MODULATORS OF THE EIF2ALPHA PATHWAY EIF2AK1, EIF2A, EIF2AK3 NPC1 2144/4885RAB9A 2447/4885HPGD 2703/4885
US-10343981-B2 Modulators of the eIF2alpha pathway EIF2AK1, EIF2A, EIF2AK3 NPC1 2144/4885RAB9A 2447/4885HPGD 2703/4885

“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.