SCHEMBL4033889

SCHEMBL4033889

COc1cccc(NC(=O)CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
ACKR3 P25106 2/20 0.52
FAAH O00519 1/20 0.50
USP2 O75604 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA1A P35348 1/20 0.49
CCR3 P51677 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 1/20 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
SCHEMBL4034536 0.87 MCHR1 (0.65) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL6389014 0.81 SIGMAR1 (0.81) MCHR1SIGMAR1ACKR3
SCHEMBL5741336 0.79 CCR3 (0.56) MCHR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL5741334 0.79 CCR3 (0.56) MCHR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL4033285 0.77 MCHR1 (0.65) MCHR1MEN1KMT2ASIGMAR1ACKR3
SCHEMBL5855459 0.77 MEN1 (0.63) MCHR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL5744159 0.76 CCR3 (0.53) MCHR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL6311795 0.76 MEN1 (0.74) MCHR1MEN1KMT2ASIGMAR1CCR3
SCHEMBL18657862 0.75 DCUN1D1 (0.75) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL4034921 0.75 MCHR1 (0.77) MCHR1MEN1KMT2ASIGMAR1

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 disclosed
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 MCHR1 408/4885MEN1 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.