SCHEMBL4033896

SCHEMBL4033896

Fc1ccc(CN2CC[CH]CC2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
HTT P42858 1/20 0.71
KDM4E B2RXH2 2/20 0.49
SIGMAR1 Q99720 5/20 0.47
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DRD4 P21917 5/20 0.43
TMEM97 Q5BJF2 1/20 0.42
CHKA P35790 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28192273 0.85 ALDH1A1 (0.96) ALDH1A1HTTKDM4ESIGMAR1DPP4
SCHEMBL4101414 0.85 ALDH1A1 (0.89) ALDH1A1HTTKDM4ESIGMAR1DPP4
SCHEMBL26116727 0.84 ALDH1A1 (0.51) ALDH1A1HTTKDM4ESIGMAR1DRD4
SCHEMBL26118682 0.84 ALDH1A1 (0.51) ALDH1A1HTTKDM4ESIGMAR1DRD3
SCHEMBL26114415 0.84 ALDH1A1 (0.51) ALDH1A1HTTKDM4ESIGMAR1DRD2
SCHEMBL26117280 0.84 POLB (0.51) ALDH1A1HTTKDM4ESIGMAR1DRD3
SCHEMBL13293320 0.83 ALDH1A1 (1.00) ALDH1A1HTTKDM4ESIGMAR1DPP4
SCHEMBL16226262 0.81 ALDH1A1 (0.71) ALDH1A1HTTKDM4EDRD3DRD2
Hydrochloric Acid SCHEMBL7401709 0.81 ALDH1A1 (0.96) ALDH1A1HTTKDM4ESIGMAR1DPP4
SCHEMBL28817369 0.81 ALDH1A1 (0.46) ALDH1A1HTTKDM4ESIGMAR1CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023194964-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 WO disclosed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 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 (1 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-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 ALDH1A1 1952/4885HTT 2931/4885KDM4E 2699/4885

“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.