SCHEMBL18769723

SCHEMBL18769723

Clc1ccc(CNCCN2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.68
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SIGMAR1 Q99720 3/20 0.54
CNR1 P21554 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRM2 P08172 2/20 0.51
SLC6A2 P23975 2/20 0.50
HRH1 P35367 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
MCHR1 Q99705 1/20 0.49
CHRM4 P08173 1/20 0.49

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
Hydrochloric Acid SCHEMBL5758747 0.98 DPP7 (0.66) DPP7ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL18769662 0.98 DPP7 (0.70) DPP7ALDH1A1KDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5760498 0.97 DPP7 (0.68) DPP7ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL5867373 0.95 DPP7 (0.62) DPP7ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL4419042 0.94 DPP7 (0.64) DPP7ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL12332378 0.91 DPP7 (0.59) DPP7KDM4EGAASMN1; SMN2SIGMAR1
SCHEMBL3171554 0.91 DPP7 (0.79) DPP7SIGMAR1KMT2AHRH3SCN5A
SCHEMBL3165932 0.89 DPP7 (0.82) DPP7SIGMAR1KMT2AHRH3MCHR1
SCHEMBL4551826 0.86 MCHR1 (0.53) DPP7ALDH1A1KDM4ESIGMAR1CHRM2
Hydrochloric Acid SCHEMBL6341357 0.86 CHRM2 (0.60) DPP7GAASMN1; SMN2SIGMAR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669305-B2 C-3 novel triterpenone with C-28 urea derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2020-06-02 US disclosed
US-10669305-B2 C-3 novel triterpenone with C-28 urea derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2020-06-02 US disclosed
US-20180305398-A1 C-3 NOVEL TRITERPENONE WITH C-28 UREA DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2018-10-25 US disclosed
WO-2017064628-A1 C-3 NOVEL TRITERPENONE WITH C-28 UREA DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-04-20 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 (2 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-20180305398-A1 C-3 NOVEL TRITERPENONE WITH C-28 UREA DERIVATIVES AS HIV INHIBITORS CCR3, CCND3, UBE2D3 DPP7 1661/4885ALDH1A1 2589/4885KDM4E 2069/4885
US-10669305-B2 C-3 novel triterpenone with C-28 urea derivatives as HIV inhibitors CCR3, CCND3, UBE2D3 DPP7 1661/4885ALDH1A1 2589/4885KDM4E 2069/4885

“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.