SCHEMBL4033845

SCHEMBL4033845

O=C(CCc1nc(-c2ccncc2)no1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
TSHR P16473 3/20 0.65
HTT P42858 1/20 0.65
ATM Q13315 1/20 0.65
TDP1 Q9NUW8 1/20 0.62
SIGMAR1 Q99720 2/20 0.53
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 3/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.49
CCR1 P32246 2/20 0.49
CCR3 P51677 2/20 0.49

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
SCHEMBL4033978 0.95 HTT (0.59) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4032532 0.87 ATM (0.55) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL2214028 0.87 SMN1; SMN2 (0.62) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4032891 0.86 SMN1; SMN2 (0.60) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL2212747 0.84 TSHR (0.60) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL2213531 0.84 SMN1; SMN2 (0.58) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4031558 0.82 TSHR (0.56) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL2215908 0.82 TSHR (0.57) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4031280 0.79 TSHR (0.58) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4031536 0.79 TSHR (0.58) SMN1; SMN2TSHRHTTATMTDP1

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 6 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 claimed
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 SMN1; SMN2 3217/4885TSHR 446/4885HTT 2931/4885

“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.