SCHEMBL601333

SCHEMBL601333

NC1CCN(c2ccc(C(=O)O)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
UBE2T Q9NPD8 1/20 0.48
SMO Q99835 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OGA O60502 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ABL1 P00519 1/20 0.46
KMT2A Q03164 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL6140027 0.88 HRH3 (0.58) HRH3HDAC10HDAC6UBE2TSMO
Hydrochloric Acid SCHEMBL5221468 0.87 HRH3 (0.57) HRH3HDAC10HDAC6UBE2TSMO
SCHEMBL14575732 0.86 HRH3 (0.55) HRH3UBE2TSMOALDH1A1LMNA
SCHEMBL14605216 0.85 LMNA (0.55) HRH3SMOALDH1A1LMNANPC1
SCHEMBL4252011 0.85 RAB9A (0.61) HRH3HDAC6SMOALDH1A1LMNA
SCHEMBL31239339 0.84 HRH3 (0.50) HRH3SMOALDH1A1LMNANPC1
SCHEMBL18555777 0.83 RAB9A (0.64) HRH3HDAC10HDAC6ALDH1A1LMNA
SCHEMBL14575465 0.82 HRH3 (0.52) HRH3SMOALDH1A1LMNANPC1
SCHEMBL30804328 0.82 HRH3 (0.52) HRH3SMOALDH1A1LMNANPC1
SCHEMBL1989630 0.82 UBE2T (0.63) HRH3UBE2TSMOALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP claimed
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP claimed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US claimed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO claimed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US claimed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 US disclosed
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-26 US disclosed
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 US disclosed
EP-1485348-B1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-06-11 EP disclosed
US-20050148613-A1 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 US disclosed
EP-1485348-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
WO-2003076395-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 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 (7 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-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 HRH3 3123/4885HDAC10 1453/4885HDAC6 475/4885
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH HRH3 192/4885HDAC10 1793/4885HDAC6 2440/4885
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH HRH3 192/4885HDAC10 1793/4885HDAC6 2440/4885
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HRH3 133/4885HDAC10 5/4885HDAC6 9/4885
US-20050148613-A1 Carbonylamino-derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HRH3 133/4885HDAC10 5/4885HDAC6 9/4885
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH HRH3 192/4885HDAC10 1793/4885HDAC6 2440/4885
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HRH3 133/4885HDAC10 5/4885HDAC6 9/4885

“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.