SCHEMBL4032329

SCHEMBL4032329

O=C(CCc1nc(-c2ccccn2)no1)NC1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 1/20 0.48
CCR3 P51677 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 3/20 0.46
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 3/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
Hydrochloric Acid SCHEMBL4033613 0.99 KMT2A (0.48) KMT2ACYP2D6CCR3SMN1; SMN2TSHR
SCHEMBL4032891 0.88 SMN1; SMN2 (0.60) KMT2ACCR3SMN1; SMN2TSHRHTT
SCHEMBL4031280 0.81 TSHR (0.58) KMT2ACCR3SMN1; SMN2TSHRHTT
SCHEMBL4031536 0.81 TSHR (0.58) KMT2ACCR3SMN1; SMN2TSHRHTT
SCHEMBL4031775 0.80 SIGMAR1 (0.60) KMT2ACCR3SMN1; SMN2TSHRHTT
SCHEMBL4031705 0.78 SMN1; SMN2 (0.72) KMT2ASMN1; SMN2TSHRHTTATM
SCHEMBL4032532 0.78 ATM (0.55) KMT2ACCR3SMN1; SMN2TSHRHTT
SCHEMBL4032572 0.77 TSHR (0.58) KMT2ACCR3SMN1; SMN2TSHRHTT
SCHEMBL6313243 0.76 HPGD (0.59) KMT2ASMN1; SMN2TSHRHTTATM
SCHEMBL4039437 0.75 HPGD (0.58) KMT2ASMN1; SMN2TSHRHTTATM

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 KMT2A 2580/4885CYP2D6 1655/4885CCR3 9/4885

“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.