SCHEMBL104699

SCHEMBL104699

C[C@H]1CNCCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ACHE P22303 1/20 0.45
HRH2 P25021 1/20 0.44
HTR2C P28335 2/20 0.43

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
SCHEMBL104187 1.00 SIGMAR1 (0.51) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
SCHEMBL104186 1.00 SIGMAR1 (0.51) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL27966160 0.98 SIGMAR1 (0.50) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
Dimethylamine SCHEMBL8560100 0.95 SIGMAR1 (0.47) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
SCHEMBL15093677 0.91 HRH3 (0.46) SIGMAR1CYP2C19MAPTHRH2
Pyridine SCHEMBL28167226 0.90 TP53 (0.44) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL2915951 0.88 PDK1 (0.46) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
SCHEMBL17460241 0.87 HTR1A (0.42) SIGMAR1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL19281788 0.87 HTR1A (0.42) SIGMAR1SLC6A2SLC6A4SLC6A3HTR2C
Tert-Butyl Formate SCHEMBL27994114 0.85 CYP2C19 (0.43) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067625-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2024-02-29 US disclosed
WO-2022140643-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2022-06-30 WO disclosed
EP-2952510-B1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2018-12-26 EP disclosed
CN-104968654-B Substituted 2-aminopyridine albuminoid kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP Co.,Ltd. (CN) 2018-06-01 CN disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
EP-1734966-A4 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2009-04-22 EP disclosed
US-20080095740-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-04-24 US disclosed
US-7307081-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2007-12-11 US disclosed
CN-1968698-A Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE SAN DIEGO INC (US) 2007-05-23 CN disclosed
EP-1734966-A2 PIPERIZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS Incyte Corporation (US) 2006-12-27 EP disclosed
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION 2005-11-24 US disclosed
WO-2005101838-A2 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2005-10-27 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 (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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA SIGMAR1 2827/4885CYP2C19 1570/4885MAPT 1571/4885
US-20240067625-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX NR2E1, NR2E3, NR4A2 SIGMAR1 812/4885CYP2C19 4706/4885MAPT 559/4885
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists CCR5, CCR2, CXCR5 SIGMAR1 532/4885CYP2C19 1106/4885MAPT 4276/4885
US-20080095740-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 SIGMAR1 512/4885CYP2C19 1941/4885MAPT 1960/4885
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 SIGMAR1 532/4885CYP2C19 1106/4885MAPT 4276/4885

“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.