SCHEMBL7220311

SCHEMBL7220311

COc1cccc(-c2cnc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
FAAH O00519 1/20 0.48
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
TP53 P04637 4/20 0.44
HPGD P15428 4/20 0.44
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
VCP P55072 1/20 0.44
MEN1 O00255 1/20 0.43
CHRNB2 P17787 4/20 0.42
CHRNA7 P36544 4/20 0.42
CHRNA4 P43681 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 1/20 0.41
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7121097 0.89 HDAC6 (0.48) HDAC1HDAC6FAAHNPC1RAB9A
SCHEMBL7217703 0.88 FAAH (0.44) HDAC1HDAC6FAAHCHRNB2CHRNA7
SCHEMBL7220020 0.88 HDAC1 (0.49) HDAC1HDAC6CHRNB2CHRNA7CHRNA4
SCHEMBL7131192 0.87 HDAC1 (0.38) HDAC1HDAC6FAAHCHRNB2CHRNA7
SCHEMBL7120796 0.87 HDAC1 (0.49) HDAC1HDAC6CHRNB2CHRNA7CHRNA4
SCHEMBL7223054 0.87 FAAH (0.45) HDAC1HDAC6FAAHCHRNB2CHRNA7
SCHEMBL7122341 0.87 FAAH (0.45) HDAC1HDAC6FAAHCHRNB2CHRNA7
SCHEMBL7123245 0.87 HDAC1 (0.49) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL7116085 0.86 TUBB4A (0.49) HDAC1HDAC6FAAHCHRNB2CHRNA7
SCHEMBL7063822 0.85 CHRNB2 (0.49) NPC1RAB9ATP53HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US claimed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US claimed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US claimed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US claimed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US disclosed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 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 (3 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-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 HDAC1 844/4885HDAC6 596/4885FAAH 1717/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 HDAC1 1007/4885HDAC6 673/4885FAAH 2811/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 HDAC1 844/4885HDAC6 596/4885FAAH 1717/4885

“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.