SCHEMBL21392801

SCHEMBL21392801

O=C(CCl)NCc1ccc(CN2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.56
HTR1A P08908 1/20 0.55
HTR7 P34969 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CHRM1 P11229 2/20 0.53
HTR2A P28223 2/20 0.53
MCHR1 Q99705 2/20 0.53
HRH3 Q9Y5N1 3/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MLLT1 Q03111 4/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TNIK Q9UKE5 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
CYP2D6 P10635 1/20 0.48

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
SCHEMBL2236992 0.82 ALDH1A1 (0.65) NCF1HDAC1HDAC8HDAC6CHRM1
SCHEMBL15513484 0.82 HRH3 (0.60) NCF1HTR1AHTR7HDAC1HDAC8
SCHEMBL3869011 0.81 L3MBTL1 (0.62) NCF1HTR1AHTR7HDAC1HDAC8
SCHEMBL3875733 0.81 L3MBTL1 (0.62) NCF1HTR1AHTR7HDAC1HDAC8
SCHEMBL5500400 0.81 ALDH1A1 (0.68) NCF1HDAC1HDAC8HDAC6CHRM1
SCHEMBL1936053 0.80 NCF1 (0.54) NCF1HTR1AHTR7HDAC1HDAC8
SCHEMBL3440319 0.79 NCF1 (0.58) NCF1HDAC1HDAC8HDAC6CHRM1
SCHEMBL3870522 0.79 MCHR1 (0.68) CHRM1HTR2AMCHR1HRH3KDM4E
SCHEMBL3879688 0.79 MCHR1 (0.68) CHRM1HTR2AMCHR1HRH3KDM4E
SCHEMBL9798143 0.77 ALDH1A1 (0.58) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
WO-2019183600-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-26 WO disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 NCF1 2297/4885HTR1A 2020/4885HTR7 1756/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 NCF1 3558/4885HTR1A 3477/4885HTR7 3683/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 NCF1 2297/4885HTR1A 2020/4885HTR7 1756/4885

“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.