SCHEMBL180304

SCHEMBL180304

Cc1c(OC2CCNCC2)ccc(C#N)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.45
HRH1 P35367 2/20 0.43
CCR3 P51677 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
AR P10275 4/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
SLC6A4 P31645 1/20 0.39
FPR2 P25090 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
HSP90AB1 P08238 2/20 0.39
TOP2A P11388 2/20 0.39

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
SCHEMBL4967049 0.85 HRH1 (0.59) HRH1CCR3KCNH2TBK1AR
SCHEMBL5978556 0.84 HRH1 (0.53) MAP3K5HRH1CCR3KCNH2TBK1
SCHEMBL27169505 0.83 HRH1 (0.43) HRH1CCR3KCNH2ARFPR2
SCHEMBL27169508 0.83 HRH1 (0.43) HRH1CCR3KCNH2ARFPR2
Hydrochloric Acid SCHEMBL30872806 0.82 HRH1 (0.42) HRH1CCR3KCNH2ARFPR2
SCHEMBL5189891 0.82 HRH1 (0.45) HRH1CCR3HTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL180200 0.81 TOP2A (0.44) HRH1CCR3HTR2CHTR2BSLC6A4
SCHEMBL22265925 0.80 HRH1 (0.48) MAP3K5HRH1HTR2AHTR2CHTR2B
SCHEMBL5363977 0.80 NOS2 (0.50) MAP3K5HTR2CHTR2BNOS3NOS1
SCHEMBL14453574 0.80 TBK1 (0.47) MAP3K5HRH1HTR2CHTR2BTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257365-A1 SMALL MOLECULE ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-08-17 US disclosed
US-20230257365-A1 SMALL MOLECULE ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-08-17 US disclosed
US-20130023562-A1 NOVEL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-24 US disclosed
US-8314127-B2 Piperidine derivatives ASTRAZENECA AB (SE) 2012-11-20 US disclosed
EP-1912941-B1 PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2012-11-14 EP disclosed
EP-2402316-A1 Piperidine derivatives AstraZeneca AB (Publ) (SE) 2012-01-04 EP disclosed
US-7956070-B2 Piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20080207688-A1 Novel Piperidine Derivatives ASTRAZENECA AB (SE) 2008-08-28 US disclosed
EP-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
EP-1912941-A1 NOVEL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2008-04-23 EP disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
WO-2007011293-A1 NOVEL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-25 WO disclosed
EP-1713772-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005073192-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) ASTRAZENECA AB (SE) 2005-08-11 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-20080207688-A1 Novel Piperidine Derivatives CCR3, CCR1, CCR4 MAP3K5 1280/4885HRH1 276/4885CCR3 1/4885
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) CCR3, CCR1, CCR4 MAP3K5 1407/4885HRH1 81/4885CCR3 1/4885
US-20230257365-A1 SMALL MOLECULE ANDROGEN RECEPTOR PROTEIN DEGRADERS AR, SHBG, CYP19A1 MAP3K5 3287/4885HRH1 3646/4885CCR3 4315/4885
US-20130023562-A1 NOVEL PIPERIDINE DERIVATIVES CCR3, CCR1, CCR4 MAP3K5 1280/4885HRH1 276/4885CCR3 1/4885
US-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease CCR3, CCR1, CCR4 MAP3K5 1442/4885HRH1 51/4885CCR3 1/4885

“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.