SCHEMBL4031280

SCHEMBL4031280

O=C(CCc1nc(-c2ccccn2)no1)NC1CCN(Cc2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.56
MCHR1 Q99705 1/20 0.50
HPGD P15428 3/20 0.49
TP53 P04637 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
SIGMAR1 Q99720 5/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR1 P32246 1/20 0.45
CCR3 P51677 1/20 0.45

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
SCHEMBL4031536 0.94 TSHR (0.58) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4032891 0.93 SMN1; SMN2 (0.60) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4032572 0.93 TSHR (0.58) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4031705 0.89 SMN1; SMN2 (0.72) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4031775 0.86 SIGMAR1 (0.60) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4032532 0.83 ATM (0.55) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4032329 0.81 KMT2A (0.49) TSHRSMN1; SMN2HTTATMTDP1
Hydrochloric Acid SCHEMBL4033613 0.81 KMT2A (0.48) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4033845 0.79 SMN1; SMN2 (0.65) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4039437 0.79 HPGD (0.58) TSHRSMN1; SMN2HTTATMTDP1

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 TSHR 446/4885SMN1; SMN2 3217/4885HTT 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.