SCHEMBL4491304

SCHEMBL4491304

Clc1ccc2occ(C3CCNCC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
HTR1A P08908 3/20 0.41
SLC6A3 Q01959 2/20 0.41
PTPN1 P18031 1/20 0.40
HTR2C P28335 4/20 0.39
HTR3A P46098 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR6 P50406 3/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL29688867 1.00 KCNH2 (0.45) KCNH2SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL4946723 0.88 KCNH2 (0.42) KCNH2SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL29688968 0.82 HTR2C (0.46) SLC6A4SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL8548591 0.82 HTR2C (0.39) SLC6A4HTR1AHTR2CNPC1RAB9A
SCHEMBL8917162 0.82 PTPN1 (0.40) KCNH2SLC6A4PTPN1KMT2A
SCHEMBL4503187 0.82 HTR2C (0.46) SLC6A4SLC6A2HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL8916365 0.81 HTR2C (0.47) SLC6A4SLC6A2HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL7694678 0.81 MPO (0.46) KCNH2SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL6125296 0.79 DRD2 (0.48) SLC6A4
SCHEMBL7967288 0.78 PTPN1 (0.44) SLC6A4SLC6A2SLC6A3PTPN1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
US-7491729-B2 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBOTT GMBH & CO. KG (DE) 2009-02-17 US 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-1572698-B1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO¬2,3-D PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-07-02 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-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-06-29 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
EP-1572698-A1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF Abbott GmbH & Co. KG (DE) 2005-09-14 EP disclosed
CN-1186322-C Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-01-26 CN disclosed
WO-2004055024-A1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2004-07-01 WO disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 CN 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 (6 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 KCNH2 3903/4885SLC6A4 170/4885SLC6A2 860/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 KCNH2 3903/4885SLC6A4 170/4885SLC6A2 860/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 KCNH2 4628/4885SLC6A4 4748/4885SLC6A2 4833/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 KCNH2 4016/4885SLC6A4 133/4885SLC6A2 707/4885
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof HTR3C, DRD3, HTR4 KCNH2 422/4885SLC6A4 238/4885SLC6A2 293/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 KCNH2 4559/4885SLC6A4 4698/4885SLC6A2 4812/4885

“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.