SCHEMBL2708481

SCHEMBL2708481

Cc1cc(C2CCNCC2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.54
QDPR P09417 1/20 0.51
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
KCNH2 Q12809 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL13698229 0.90 HTR3A (0.54) HTR2CHTR2AHTR2BHTR1ASLC6A2
SCHEMBL12188754 0.87 HTR2C (0.50) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL5584693 0.86 HTR2C (0.54) HTR2CQDPRSLC18A3SIGMAR1TLR9
SCHEMBL24746226 0.83 HTR2A (0.47) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL2709718 0.83 HTR2C (0.59) HTR2CQDPRSLC18A3SIGMAR1TLR9
SCHEMBL1765234 0.83 QDPR (0.56) HTR2CQDPRSLC18A3SIGMAR1SLC6A2
SCHEMBL19624876 0.81 HTR2A (0.46) HTR2CHTR2AHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4881862 0.81 HTR2C (0.61) HTR2CQDPRSLC18A3SIGMAR1TLR9
Hydrochloric Acid SCHEMBL1764764 0.81 QDPR (0.55) HTR2CQDPRSLC18A3SIGMAR1HTR2A
SCHEMBL3384929 0.79 SLC6A2 (0.56) HTR2CQDPRSLC18A3SIGMAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468961-B1 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2020-06-10 EP disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 US disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HTR2C 2119/4885QDPR 66/4885SLC18A3 1573/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 HTR2C 326/4885QDPR 617/4885SLC18A3 2461/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HTR2C 2119/4885QDPR 66/4885SLC18A3 1573/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 HTR2C 1460/4885QDPR 102/4885SLC18A3 1575/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 HTR2C 657/4885QDPR 1939/4885SLC18A3 3436/4885

“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.