SCHEMBL21657796

SCHEMBL21657796

Cc1ccc(Cc2ccc(CCN3CCCCC3)s2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
HRH3 Q9Y5N1 8/20 0.46
LTA4H P09960 7/20 0.41
HRH1 P35367 1/20 0.40
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8281118 0.80 HRH3 (0.61) CYP1A2CYP2D6HRH3HRH1CYP3A4
SCHEMBL12334539 0.73 HRH3 (0.59) CYP2D6HRH3
SCHEMBL4554100 0.71 CHRNB2 (0.56) HRH3L3MBTL1MBTD1L3MBTL3
SCHEMBL20038476 0.68 SIGMAR1 (0.51) CYP1A2CYP2D6HRH3LTA4HHRH1
SCHEMBL27420593 0.68 MEN1 (0.40) HRH1
SCHEMBL12049097 0.68 CHRNB2 (0.51) HRH3HRH1
SCHEMBL226521 0.67 TDP1 (0.51) CYP1A2HRH3CYP3A4L3MBTL1MBTD1
SCHEMBL20037986 0.65 HRH3 (0.47) HRH3LTA4HHRH1
SCHEMBL18291450 0.65 ALDH1A1 (0.50) HRH3L3MBTL1MBTD1L3MBTL3
SCHEMBL227159 0.64 HRH3 (0.56) CYP1A2CYP2D6HRH3CYP3A4L3MBTL1

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-10548911-B2 Small molecule anti-scarring agents UNIVERSITY OF ROCHESTER (US) 2020-02-04 US disclosed
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 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 (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-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS COLGALT1, MMP1, FIBP CYP1A2 4621/4885CYP2D6 4810/4885HRH3 2113/4885
US-10548911-B2 Small molecule anti-scarring agents COLGALT1, MMP1, FIBP CYP1A2 4621/4885CYP2D6 4810/4885HRH3 2113/4885

“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.