SCHEMBL7096422

SCHEMBL7096422

CCCCCCCCN(C(N)=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
PAX8 Q06710 2/20 0.68
JAK2 O60674 1/20 0.68
TP53 P04637 3/20 0.51
ALDH1A1 P00352 5/20 0.49
GPX4 P36969 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2C P18825 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
TACR1 P25103 1/20 0.47
ICMT O60725 1/20 0.46
ALB P02768 1/20 0.46
ADRB2 P07550 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 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
SCHEMBL6424475 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL4024848 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL11344801 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL1082836 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL11344796 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL3055011 0.98 NPC1 (0.65) NPC1RAB9APAX8JAK2TP53
SCHEMBL1506356 0.93 NPC1 (0.58) NPC1RAB9APAX8JAK2TP53
Hydrochloric Acid SCHEMBL27532672 0.92 NPC1 (0.56) NPC1RAB9APAX8JAK2TP53
SCHEMBL10960608 0.86 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53
SCHEMBL10961189 0.86 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53

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
JP-6320862-A None JP disclosed
EP-2050790-B1 BIODEGRADABLE RESIN COMPOSITION AND MOLDED BODY THEREOF KANEKA CORP (JP) 2018-06-13 EP disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
EP-0849630-B1 Process for producing color filter FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
EP-0849630-A2 Process for producing color filter FUJI PHOTO FILM CO., LTD. (JP) 1998-06-24 EP disclosed
JP-H06320862-A REVERSIBLE THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD 1994-11-22 JP 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 NPC1 1172/4885RAB9A 1800/4885PAX8 4565/4885

“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.