SCHEMBL5209415

SCHEMBL5209415

CCOC(=O)C1=Cc2cc(Br)ccc2OCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
CCR3 P51677 1/20 0.43
MAPT P10636 5/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
ALOX5 P09917 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CLK1 P49759 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALPL P05186 1/20 0.39
MAOB P27338 2/20 0.39
CCR5 P51681 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL7382482 0.87 CA12 (0.47) MAPTLMNANPC1RAB9ACLK1
SCHEMBL7388942 0.86 ALOX5 (0.43) CCR2CCR3MAPTLMNAALOX5
SCHEMBL5209506 0.86 CCR2 (0.46) CCR2CCR3MAPTTP53LMNA
SCHEMBL7697013 0.85 NPC1 (0.41) MAPTTP53LMNAALOX5NPC1
SCHEMBL7382857 0.85 MAPT (0.43) MAPTTP53LMNANPC1RAB9A
SCHEMBL7380758 0.85 CA12 (0.47) MAPTLMNANPC1RAB9ACLK1
SCHEMBL5550241 0.84 ALDH1A1 (0.52) MAPTTP53LMNAALOX5NPC1
SCHEMBL7698975 0.83 CA12 (0.52) MAPTTP53LMNANPC1RAB9A
SCHEMBL7702964 0.83 NPC1 (0.42) MAPTTP53LMNANPC1RAB9A
SCHEMBL7702467 0.82 SMN1; SMN2 (0.45) MAPTTP53LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20050096475-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
US-6864367-B2 Process for producing cyclic compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-08 US disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US disclosed
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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 (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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 CCR2 194/4885CCR3 345/4885MAPT 4452/4885
US-20050096475-A1 Process for producing cyclic compound SLC39A11, CYP4F11, WEE1 CCR2 675/4885CCR3 1007/4885MAPT 4601/4885

“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.