SCHEMBL16333354

SCHEMBL16333354

O=C(NCC1CCCO1)c1cc(-c2ccccc2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
HPGD P15428 5/20 1.00
NPC1 O15118 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
KMT2A Q03164 3/20 1.00
LMNA P02545 1/20 1.00
ALDH1A1 P00352 5/20 0.79
TP53 P04637 1/20 0.79
ATM Q13315 1/20 0.79
HIF1A Q16665 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.59
S1PR1 P21453 1/20 0.58
MLLT1 Q03111 1/20 0.57

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
SCHEMBL16333352 1.00 RAB9A (1.00) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL16334901 1.00 RAB9A (1.00) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL17661421 0.88 RAB9A (0.80) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL17661422 0.88 RAB9A (0.80) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL14160565 0.85 HPGD (0.78) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL17933815 0.84 HIF1A (0.90) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL16373566 0.84 NPC1 (0.72) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL4286612 0.83 RAB9A (0.71) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL17874048 0.81 RAB9A (0.67) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL17874024 0.80 RAB9A (0.80) RAB9AHPGDNPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US claimed
EP-3013341-A1 METHODS OF MODULATING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2016-05-04 EP claimed
WO-2014210159-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2014-12-31 WO claimed
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
EP-3013341-A1 METHODS OF MODULATING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2016-05-04 EP disclosed
WO-2014210159-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2014-12-31 WO disclosed
WO-2014210159-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2014-12-31 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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 RAB9A 1564/4885HPGD 967/4885NPC1 119/4885

“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.