SCHEMBL4032891

SCHEMBL4032891

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
SIGMAR1 Q99720 4/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CCR1 P32246 2/20 0.53
CCR3 P51677 2/20 0.53
MCHR1 Q99705 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMO Q99835 1/20 0.47
RAB9A P51151 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL4031280 0.93 TSHR (0.58) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4031536 0.93 TSHR (0.58) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4031775 0.93 SIGMAR1 (0.60) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4031705 0.91 SMN1; SMN2 (0.72) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4032532 0.90 ATM (0.55) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4032572 0.89 TSHR (0.58) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4032329 0.88 KMT2A (0.49) SMN1; SMN2TSHRHTTATMTDP1
Hydrochloric Acid SCHEMBL4033613 0.87 KMT2A (0.48) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL4033845 0.86 SMN1; SMN2 (0.65) SMN1; SMN2TSHRHTTATMTDP1
SCHEMBL2212747 0.85 TSHR (0.60) 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.