SCHEMBL5282541

SCHEMBL5282541

Clc1cccc(Cl)c1CCCCBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
AKR1B1 P15121 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL18007013 0.98 TAAR1 (0.50) TAAR1AKR1B1SMN1; SMN2LMNACYP1A2
SCHEMBL3119457 0.93 TAAR1 (0.54) TAAR1AKR1B1SMN1; SMN2LMNACYP1A2
SCHEMBL4428349 0.85 TAAR1 (0.61) TAAR1AKR1B1SMN1; SMN2LMNACYP1A2
SCHEMBL326538 0.83 TAAR1 (0.58) TAAR1AKR1B1SMN1; SMN2LMNACYP1A2
SCHEMBL5294145 0.77 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2LMNACYP1A2
SCHEMBL18241991 0.77 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2LMNACYP1A2
SCHEMBL9073051 0.77 TAAR1 (0.52) TAAR1SMN1; SMN2POLBKDM4E
SCHEMBL673238 0.77 TAAR1 (0.70) TAAR1AKR1B1SMN1; SMN2LMNACYP1A2
SCHEMBL9294572 0.76 TAAR1 (0.50) TAAR1AKR1B1SMN1; SMN2LMNACYP1A2
SCHEMBL8308252 0.76 MEN1 (0.51) TAAR1SMN1; SMN2LMNAALDH1A1KDM4E

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
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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 (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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD TAAR1 401/4885AKR1B1 2115/4885SMN1; SMN2 2988/4885

“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.