SCHEMBL79270

SCHEMBL79270

Cc1c(Cl)cccc1CCCBr

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 4/20 0.37
PNMT P11086 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
AOC3 Q16853 1/20 0.34
P2RX7 Q99572 6/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL1290396 0.88 ALDH1A1 (0.43) ALDH1A1TAAR1PNMTLMNAHPGD
SCHEMBL8094335 0.82 ALDH1A1 (0.42) ALDH1A1TAAR1PNMTLMNAHPGD
SCHEMBL79911 0.81 ALDH1A1 (0.41) ALDH1A1TAAR1PNMTLMNAHPGD
SCHEMBL81786 0.80 TAAR1 (0.59) ALDH1A1TAAR1PNMTP2RX7IDO1
SCHEMBL79424 0.80 ESR1 (0.40) ALDH1A1TAAR1P2RX7
SCHEMBL724659 0.79 ALDH1A1 (0.46) ALDH1A1TAAR1PNMTLMNAHPGD
SCHEMBL6681501 0.79 TAAR1 (0.56) TAAR1PNMTLMNASLC6A4SLC6A2
SCHEMBL21974038 0.79 LIPG (0.49)
SCHEMBL8094251 0.78 ALDH1A1 (0.45) ALDH1A1TAAR1PNMTLMNAHPGD
SCHEMBL3119457 0.77 TAAR1 (0.54) ALDH1A1TAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C ALDH1A1 646/4885TAAR1 197/4885PNMT 59/4885

“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.