SCHEMBL3569578

SCHEMBL3569578

Clc1cc(Br)c2ncccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.50
CCR8 P51685 5/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.50
NR4A2 P43354 1/20 0.48
SLC40A1 Q9NP59 3/20 0.47
KDM4E B2RXH2 3/20 0.45
CCR5 P51681 3/20 0.45
TP53 P04637 2/20 0.45
HSP90AA1 P07900 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GMNN O75496 1/20 0.45
MMP2 P08253 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL2582442 0.78 CCR1 (0.46) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL31276857 0.78 CCR1 (0.46) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL2696188 0.77 PSMD14 (0.62) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL7441724 0.77 HSP90AA1 (0.54) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL15007502 0.77 KDM4E (0.48) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL1611156 0.77 NR4A2 (0.53) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL364531 0.77 KDM4E (0.57) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL1148265 0.77 CCR1 (0.50) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL7450182 0.77 CCR1 (0.55) CCR1CCR8HTTSMN1; SMN2LMNA
SCHEMBL10880120 0.77 CCR1 (0.46) CCR1CCR8HTTSMN1; SMN2LMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788347-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-15 EP disclosed
US-8742098-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8742098-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8742098-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
WO-2013083666-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-06-13 WO disclosed
WO-2013083666-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-06-13 WO disclosed
US-20130150360-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-20130150360-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-20130150360-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
EP-1390364-A1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION Wyeth (US) 2004-02-25 EP disclosed
US-6632824-B2 Have the ability to act at the 5-HT transporter. WYETH 2003-10-14 US disclosed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 US disclosed
WO-2002096906-A1 ARYL-8-AZABICYCLO[3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-12-05 WO disclosed
US-4812471-A Hypoglycemic 5-(isoxazolyl or isothiazolyl)-oxazolidine-2,4-diones PFIZER INC. (US) 1989-03-14 US disclosed
US-4753956-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1988-06-28 US disclosed
US-4689336-A Hypoglycemic 5-substituted oxazolidine 2,4-diones PFIZER INC. (US) 1987-08-25 US disclosed
US-4565820-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1986-01-21 US disclosed
US-4431810-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1984-02-14 US disclosed
US-4342771-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1982-08-03 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-20130150360-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CCR1 1062/4885CCR8 2360/4885HTT 4427/4885
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression HTR1A, HTR1D, HTR2C CCR1 593/4885CCR8 519/4885HTT 1123/4885

“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.