SCHEMBL10106401

SCHEMBL10106401

CCCN(CC)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
TAAR1 Q96RJ0 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
IGLV6-57 P01721 1/20 0.40
TSHR P16473 2/20 0.38
S100B P04271 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 1/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
TERT O14746 1/20 0.35

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
SCHEMBL17863879 0.92 TAAR1 (0.43) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL7896008 0.88 ALDH1A1 (0.59) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL19654993 0.88 ALDH1A1 (0.43) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL11518103 0.86 ALDH1A1 (0.49) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL11692906 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL19654991 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL17863878 0.81 CYP1A2 (0.41) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL20961729 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL14415159 0.80 CYP1A2 (0.44) ALDH1A1CYP3A4TAAR1MTNR1AMTNR1B
SCHEMBL681549 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4IGLV6-57TSHRLMNA

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-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed
US-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES RYS DAVID J (US) 2011-12-15 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-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, PML ALDH1A1 3369/4885CYP3A4 522/4885TAAR1 4670/4885

“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.