SCHEMBL6047809

SCHEMBL6047809

CCCCN(CCCC)C(=O)Cn1c(CC(C)(C)C)nc2cc(OC)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
TBXA2R P21731 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 5/20 0.41
HDAC1 Q13547 1/20 0.41
CNR1 P21554 1/20 0.41
ALOX5AP P20292 2/20 0.41
MAPT P10636 2/20 0.41
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6047814 0.92 MTNR1A (0.45) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL6047806 0.84 ALDH1A1 (0.44) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL4696158 0.81 ALDH1A1 (0.53) NPC1ALDH1A1TBXA2RTDP1CNR2
SCHEMBL6047764 0.80 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL6047832 0.78 ALDH1A1 (0.45) NPC1ALDH1A1LMNATDP1CNR2
SCHEMBL4696223 0.76 MTNR1A (0.43) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL4312896 0.75 MTNR1A (0.42) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL6047805 0.74 MTNR1A (0.41) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL4320915 0.74 MTNR1A (0.41) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL4309693 0.73 MAPT (0.42) NPC1RAB9AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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 (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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 NPC1 183/4885RAB9A 2020/4885ALDH1A1 2026/4885

“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.