SCHEMBL4997464

SCHEMBL4997464

O=C(O)c1cc2cccc(OCF)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.45
TBXAS1 P24557 1/20 0.44
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
CHRNA7 P36544 5/20 0.40
HTR3A P46098 3/20 0.40
GPR35 Q9HC97 2/20 0.39
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2897570 0.85 CHRNA7 (0.53) BCL2L1TBXAS1CHRNA7HTR3AKDM4E
SCHEMBL21417060 0.83 KMT2A (0.44) BCL2L1TBXAS1HDAC3HDAC4HDAC1
SCHEMBL5564215 0.82 CHRNA7 (0.43) BCL2L1TBXAS1HDAC3HDAC4HDAC1
SCHEMBL1850788 0.81 CA2 (0.53) BCL2L1TBXAS1HDAC3HDAC4HDAC1
SCHEMBL17843017 0.79 CHRNA7 (0.53) BCL2L1TBXAS1HDAC3HDAC4HDAC1
SCHEMBL17842761 0.77 CHRNA7 (0.53) BCL2L1TBXAS1HDAC3HDAC4HDAC1
SCHEMBL2889881 0.74 BCL2L1 (0.53) BCL2L1TBXAS1HDAC3HDAC4HDAC1
SCHEMBL15697497 0.74 BCL2L1 (0.46) BCL2L1TBXAS1HDAC3HDAC4HDAC1
SCHEMBL6284804 0.74 CA2 (0.49) BCL2L1TBXAS1CHRNA7HTR3AKDM4E
SCHEMBL17173219 0.73 P2RY14 (0.46) BCL2L1TBXAS1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016100184-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2006-08-03 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-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ADRB3, SLC6A3, SLC6A2 BCL2L1 2960/4885TBXAS1 602/4885HDAC3 633/4885

“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.