SCHEMBL7772142

SCHEMBL7772142

O=C(O)c1ccc(CCN2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.61
HRH3 Q9Y5N1 9/20 0.59
SIGMAR1 Q99720 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
EBP Q15125 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 1/20 0.51
DHCR7 Q9UBM7 1/20 0.51
HTR2A P28223 2/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 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
Hydrochloric Acid SCHEMBL7447525 0.98 SLC6A3 (0.59) SLC6A3HRH3SIGMAR1L3MBTL1MBTD1
SCHEMBL7031548 0.98 HRH3 (0.62) SLC6A3HRH3SIGMAR1L3MBTL1MBTD1
SCHEMBL2741683 0.98 HRH3 (0.62) SLC6A3HRH3SIGMAR1L3MBTL1MBTD1
Hydrochloric Acid SCHEMBL223935 0.97 HRH3 (0.61) SLC6A3HRH3SIGMAR1L3MBTL1MBTD1
Hydrochloric Acid SCHEMBL6596661 0.88 LTA4H (0.59) HRH3SIGMAR1KCNH2
SCHEMBL4767153 0.88 SIGMAR1 (0.63) HRH3SIGMAR1CYP1A2CYP3A4MEN1
SCHEMBL22386773 0.88 LTA4H (0.59) HRH3SIGMAR1KCNH2
SCHEMBL2741684 0.88 LTA4H (0.59) HRH3SIGMAR1KCNH2
SCHEMBL10902405 0.88 MEN1 (0.67) SLC6A3SIGMAR1EBPMEN1KMT2A
SCHEMBL7453093 0.87 HRH3 (0.61) SLC6A3HRH3SIGMAR1L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030441-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF ARISAPH PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 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 (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-20160030441-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF NAMPT, NNT, NAPRT SLC6A3 303/4885HRH3 1233/4885SIGMAR1 1502/4885

“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.