SCHEMBL4033714

SCHEMBL4033714

NC1CCN(Cc2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.51
DRD4 P21917 7/20 0.51
TMEM97 Q5BJF2 1/20 0.51
CXCR3 P49682 1/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SOS1 Q07889 1/20 0.44
HRH3 Q9Y5N1 1/20 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
SCHEMBL3150518 0.88 SOS1 (0.55) SIGMAR1DRD4POLBALDH1A1SMN1; SMN2
SCHEMBL3144826 0.86 ALDH1A1 (0.65) SIGMAR1DRD4TMEM97ALDH1A1HTT
SCHEMBL3150313 0.86 SMN1; SMN2 (0.65) SIGMAR1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL19083785 0.85 HRH3 (0.61) SIGMAR1DRD4TMEM97CXCR3POLB
Hydrochloric Acid SCHEMBL4033471 0.84 ALDH1A1 (0.63) SIGMAR1DRD4TMEM97ALDH1A1HTT
Hydrochloric Acid SCHEMBL2214408 0.84 SMN1; SMN2 (0.63) SIGMAR1POLBALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4036112 0.84 SMN1; SMN2 (0.63) SIGMAR1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL8151034 0.82 ALDH1A1 (0.49) SIGMAR1DRD4ALDH1A1HTTKDM4E
SCHEMBL17994012 0.82 ACHE (0.51) SIGMAR1ALDH1A1HTTKDM4E
SCHEMBL3143909 0.81 FAAH (0.52) SIGMAR1CXCR3POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SIGMAR1 126/4885DRD4 225/4885TMEM97 401/4885

“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.