SCHEMBL5926009

SCHEMBL5926009

CCc1ccc(CN(CC)CC)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.73
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ PYCR1 P32322 1/20 0.47
▸ CNR2 P34972 1/20 0.47

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
SCHEMBL7768079 0.92 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL8250806 0.86 TP53 (0.61) HRH3CNR2
SCHEMBL8252162 0.86 HRH3 (0.63) HRH3PYCR1
SCHEMBL12680476 0.84 HRH3 (1.00) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL25541295 0.83 HRH3 (0.52) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL13222337 0.83 HRH3 (0.52) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL8244555 0.83 MAPT (0.61) HRH3
SCHEMBL2253179 0.82 HRH3 (0.70) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL5925786 0.82 HRH3 (0.70) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL26686938 0.82 HRH3 (0.70) HRH3HDAC8HDAC6PYCR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 — — US disclosed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 — — US disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 — — US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 — — US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 — — US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 — — US disclosed
US-7696355-B2 Isothiazole carboxylic acid amides and the application thereof in order to protect plants BAYER AKTIENGESELLSCHAFT (DE) 2010-04-13 — — US disclosed
US-7696355-B2 Isothiazole carboxylic acid amides and the application thereof in order to protect plants BAYER AKTIENGESELLSCHAFT (DE) 2010-04-13 — — US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 — — US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 — — US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 — — US disclosed
US-20080132474-A1 BREAST CANCER SCREENING AND TREATMENT METHODS GENE LOGIC INC. (US) 2008-06-05 — — US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 — — US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 — — US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 — — US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 — — US disclosed
US-20070232670-A1 Isothiazole carboxylic acid amides and the application thereof in order to protect plants BAYER AKTIENGESELLSCHAFT (DE) 2007-10-04 — — US disclosed
US-20070232670-A1 Isothiazole carboxylic acid amides and the application thereof in order to protect plants BAYER AKTIENGESELLSCHAFT (DE) 2007-10-04 — — US disclosed
US-7157481-B2 Isothiazole carboxylic acid amides and the application thereof in order to protect plants BAYER AKTIENGESELLSCHAFT (DE) 2007-01-02 — — US disclosed
US-7157481-B2 Isothiazole carboxylic acid amides and the application thereof in order to protect plants BAYER AKTIENGESELLSCHAFT (DE) 2007-01-02 — — 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 (5 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 HRH3 513/4885HDAC8 3188/4885HDAC6 1919/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 HRH3 1065/4885HDAC8 3132/4885HDAC6 2460/4885
US-20070232670-A1 Isothiazole carboxylic acid amides and the application thereof in order to protect plants CAT, AADAC, CBR3 HRH3 279/4885HDAC8 244/4885HDAC6 11/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 HRH3 548/4885HDAC8 3446/4885HDAC6 2319/4885
US-20080132474-A1 BREAST CANCER SCREENING AND TREATMENT METHODS PGR, AGTR1, AGTR2 HRH3 1088/4885HDAC8 2546/4885HDAC6 2596/4885

“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.

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