SCHEMBL6399720

SCHEMBL6399720

CC(=O)NC1Cc2ccc(CCCl)cc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 1/20 0.37
AKT1 P31749 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
OPRM1 P35372 6/20 0.33
OPRK1 P41145 4/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
OPRD1 P41143 3/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA9 Q16790 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5780440 0.91 MCHR2 (0.35) MCHR2AKT1SIGMAR1CA1CA2
SCHEMBL6399852 0.80 ALDH1A1 (0.41) MCHR2OPRM1OPRK1CA1CA2
SCHEMBL5738672 0.76 CA1 (0.55) CA1CA2CA12CA7CA14
SCHEMBL5738668 0.76 CA1 (0.55) CA1CA2CA12CA7CA14
SCHEMBL5738892 0.76 CA1 (0.55) CA1CA2CA12CA7CA14
SCHEMBL5751441 0.75 MTNR1A (0.46) MCHR2MTNR1AMTNR1BLMNABLM
SCHEMBL11295469 0.75 MTNR1A (0.53) CA1CA2MTNR1AMTNR1B
SCHEMBL11312993 0.74 MEN1 (0.41) MTNR1AMTNR1BMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11316278 0.73 MEN1 (0.40) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL6400837 0.73 ALDH1A1 (0.40) CA1CA2CA12CA7CA14

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
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 US disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia CHRM1, CHRM2, CHRM5 MCHR2 381/4885AKT1 1802/4885SIGMAR1 116/4885
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 MCHR2 2966/4885AKT1 3298/4885SIGMAR1 914/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MCHR2 3235/4885AKT1 3480/4885SIGMAR1 809/4885

“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.