SCHEMBL843747

SCHEMBL843747

COC(C)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTSS P25774 3/20 0.48
LMNA P02545 1/20 0.48
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSK P43235 1/20 0.47
CTRB1 P17538 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6380611 0.83 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL503402 0.83 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4442846 0.82 KMT2A (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL9003462 0.82 MEN1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL20382395 0.81 KMT2A (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL10806492 0.81 MEN1 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL15698559 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8433339 0.80 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL6154384 0.80 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL22468533 0.80 MEN1 (0.66) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP disclosed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 US disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
EP-1572205-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
WO-2004039815-A2 COMPOUNDS HAVING BOTH ALPHA7 NACHR AGONIST AND 5HT ANTAGONIST ACTIVITY FOR TREATMENT OF CNS DISEASES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 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 (7 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-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE MEN1 1416/4885KMT2A 2460/4885SMN1; SMN2 394/4885
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 MEN1 1427/4885KMT2A 2505/4885SMN1; SMN2 1095/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 MEN1 302/4885KMT2A 2892/4885SMN1; SMN2 1836/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 MEN1 2306/4885KMT2A 793/4885SMN1; SMN2 895/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG MEN1 2276/4885KMT2A 3609/4885SMN1; SMN2 915/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 MEN1 663/4885KMT2A 3331/4885SMN1; SMN2 1731/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 MEN1 1427/4885KMT2A 2505/4885SMN1; SMN2 1095/4885

“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.