SCHEMBL20456545

SCHEMBL20456545

C=CC(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
TEAD3 Q99594 2/20 0.55
TEAD1 P28347 1/20 0.55
HSD11B1 P28845 2/20 0.52
TET3 O43151 1/20 0.51
KMT2A Q03164 1/20 0.51
FBXL19 Q6PCT2 1/20 0.51
CXXC5 Q7LFL8 1/20 0.51
TET1 Q8NFU7 1/20 0.51
KDM2B Q8NHM5 1/20 0.51
CXXC4 Q9H2H0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
BACE1 P56817 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL19878264 0.90 RAB9A (0.68) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL16118421 0.83 NPC1 (0.55) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL11123314 0.81 KCNH2 (0.56) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL13182918 0.81 NPC1 (0.59) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL1531725 0.80 KCNH2 (0.59) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL27888979 0.80 KCNH2 (0.73) KCNH2HRH3NPC1RAB9ASMN1; SMN2
Hydrogen Sulfide SCHEMBL27863722 0.79 KCNH2 (0.58) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL19976603 0.78 CPB1 (0.58) TEAD3TEAD1HSD11B1TET3KMT2A
SCHEMBL1193744 0.77 KCNH2 (0.56) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL1473424 0.77 QDPR (0.61) KCNH2HRH3NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-27 US disclosed
US-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-27 US disclosed
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
CN-110785426-A Compositions and methods for modulating PPP2R1A 加利福尼亚大学董事会 2020-02-11 CN disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 US disclosed
WO-2018144870-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144870-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 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 (4 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-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 RTN4, RTN3, RCN1 KCNH2 4443/4885HRH3 2558/4885NPC1 2442/4885
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 KCNH2 4879/4885HRH3 3251/4885NPC1 37/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 KCNH2 4868/4885HRH3 2858/4885NPC1 2966/4885
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A PPP2R1A, PPP3CA, PPP2R2A KCNH2 4713/4885HRH3 4544/4885NPC1 3043/4885

“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.