SCHEMBL7219140

SCHEMBL7219140

Cc1ccccc1-c1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNB2 P17787 5/20 0.47
CHRNA7 P36544 5/20 0.47
CHRNA4 P43681 5/20 0.47
SLC9A1 P19634 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
S1PR4 O95977 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CASP3 P42574 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
SCHEMBL7064043 0.90 CHRNB2 (0.51) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL7060785 0.89 CHRNA7 (0.47) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL7061964 0.88 CHRNA7 (0.46) LMNAMAPTMAPK1MEN1RECQL
SCHEMBL7064120 0.88 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4SLC9A1NPC1
SCHEMBL7062659 0.88 RAB9A (0.55) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL7063432 0.88 RAB9A (0.52) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL7057854 0.87 CHRNB2 (0.46) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL7061138 0.87 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL7060843 0.87 CHRNB2 (0.46) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL7063987 0.86 CHRNB2 (0.45) ALDH1A1KDM4ELMNAMAPTMAPK1

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 ALDH1A1 130/4885HPGD 581/4885KDM4E 3718/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 ALDH1A1 267/4885HPGD 1269/4885KDM4E 4040/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 ALDH1A1 130/4885HPGD 581/4885KDM4E 3718/4885

“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.