SCHEMBL76885

SCHEMBL76885

Cc1cc(N)ccc1N1CCCOC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 5/20 0.51
MEN1 O00255 4/20 0.51
THRB P10828 3/20 0.51
NR4A1 P22736 1/20 0.51
PTK2B Q14289 1/20 0.51
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 1/20 0.44
RAD52 P43351 2/20 0.42
GFER P55789 2/20 0.42
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL4475157 0.95 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL5388815 0.91 MAPT (0.50) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL8306548 0.86 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL12795815 0.82 MAPT (0.51) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL4515367 0.82 MAPT (0.54) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL8270932 0.81 HTR1A (0.34) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL85193 0.79 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL4014556 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL1479878 0.77 HSD17B10 (0.49) ALDH1A1GAANR4A1KDM4EALOX15
SCHEMBL30168124 0.76 HSD17B10 (0.59) ALDH1A1MAPTKMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
EP-4245295-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS Alkahest, Inc. (US) 2023-09-20 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 ALDH1A1 739/4885MAPT 4547/4885KMT2A 1927/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 ALDH1A1 489/4885MAPT 4360/4885KMT2A 2252/4885

“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.