SCHEMBL5367403

SCHEMBL5367403

Fc1cc(Cl)ccc1OC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.54
HTR2B P41595 9/20 0.54
SLC6A4 P31645 4/20 0.52
SLC6A2 P23975 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HTR1A P08908 1/20 0.51
HTR6 P50406 1/20 0.48
FPR2 P25090 1/20 0.48
PROKR1 Q8TCW9 1/20 0.48

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
Hydrochloric Acid SCHEMBL15566274 0.87 HTR1A (0.55) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
Tert-Butyl Formate SCHEMBL28101025 0.86 HTR2C (0.46) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL2298746 0.83 SLC6A4 (0.58) HTR2CHTR2BSLC6A4
SCHEMBL5372606 0.83 HTR2C (0.55) HTR2CHTR2BSLC6A4SLC6A2HTR1A
SCHEMBL941030 0.83 SLC6A2 (0.58) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL2778482 0.82 SLC6A2 (0.56) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL10276355 0.82 HTR2C (0.54) HTR2CHTR2BSLC6A4SLC6A2HTR1A
SCHEMBL15566745 0.81 HTR1A (0.51) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL19244801 0.81 HTR2C (0.52) HTR2CHTR2BSLC6A4HTR6
SCHEMBL13419259 0.81 SLC6A2 (0.52) HTR2CHTR2BSLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190059-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2020-06-18 US disclosed
US-10544126-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-01-28 US disclosed
US-10273225-B2 Pyrazines as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-30 US disclosed
US-20190084962-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2019-03-21 US disclosed
US-10167273-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-01 US disclosed
EP-3105216-B1 PYRAZINE MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2018-10-10 EP disclosed
US-20180258073-A1 PYRAZINES MODULATORS OF GPR6 ENVOY THERAPEUTICS, INC. 2018-09-13 US disclosed
US-10000468-B2 Pyrazines as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-19 US disclosed
EP-2855449-B1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2018-03-07 EP disclosed
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
EP-1404667-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-03-08 EP disclosed
EP-1604982-A1 INTERMEDIATES FOR THE PREPARATION OF PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2005-12-14 EP disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
EP-1274701-B1 [1,4']-BIPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2005-06-29 EP disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 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 (9 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-20190084962-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 HTR2C 289/4885HTR2B 408/4885SLC6A4 181/4885
US-10000468-B2 Pyrazines as modulators of GPR6 GPR6, GPR65, GPR52 HTR2C 435/4885HTR2B 518/4885SLC6A4 1094/4885
US-20200190059-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 HTR2C 289/4885HTR2B 408/4885SLC6A4 181/4885
US-10273225-B2 Pyrazines as modulators of GPR6 GPR6, GPR65, GPR52 HTR2C 435/4885HTR2B 518/4885SLC6A4 1094/4885
US-10544126-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 HTR2C 289/4885HTR2B 408/4885SLC6A4 181/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 HTR2C 1618/4885HTR2B 1606/4885SLC6A4 3874/4885
US-10167273-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 HTR2C 289/4885HTR2B 408/4885SLC6A4 181/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 HTR2C 1618/4885HTR2B 1606/4885SLC6A4 3874/4885
US-20180258073-A1 PYRAZINES MODULATORS OF GPR6 GPR6, GPR65, GPR52 HTR2C 438/4885HTR2B 461/4885SLC6A4 944/4885

“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.