SCHEMBL4031775

SCHEMBL4031775

O=C(Cc1nc(-c2ccccn2)no1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CCR1 P32246 2/20 0.55
CCR3 P51677 2/20 0.55
MCHR1 Q99705 2/20 0.52
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4032891 0.93 SMN1; SMN2 (0.60) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4031280 0.86 TSHR (0.58) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4031536 0.86 TSHR (0.58) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4213798 0.83 MEN1 (0.48) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4036379 0.83 MEN1 (0.54) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4036380 0.83 MEN1 (0.54) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4031705 0.82 SMN1; SMN2 (0.72) SIGMAR1KMT2ATSHRHTTATM
SCHEMBL4032532 0.82 ATM (0.55) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4032572 0.81 TSHR (0.58) SIGMAR1KMT2ACCR3MCHR1TSHR
SCHEMBL4032329 0.80 KMT2A (0.49) KMT2ACCR3TSHRHTTATM

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 4 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

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 126/4885MEN1 4130/4885KMT2A 2580/4885

“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.