SCHEMBL4201868

SCHEMBL4201868

CC1(N(Cc2ccccc2)C(=O)C2CC2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CCR5 P51681 2/20 0.43
POLB P06746 1/20 0.41
CHRM5 P08912 1/20 0.40
OPRM1 P35372 3/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTT P42858 1/20 0.39
CPB1 P15086 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
CTSD P07339 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL13853357 0.89 CCR5 (0.51) MEN1KMT2ACCR5POLBCHRM5
Hydrochloric Acid SCHEMBL4208083 0.88 CCR5 (0.50) MEN1KMT2ACCR5POLBCHRM5
SCHEMBL19470000 0.86 OPRM1 (0.44) MEN1KMT2AOPRM1SLC6A2SLC6A4
SCHEMBL4194755 0.82 OPRM1 (0.53) MEN1KMT2APOLBOPRM1HTT
SCHEMBL30463552 0.78 OPRM1 (0.41) MEN1KMT2AOPRM1SMN1; SMN2NPSR1
SCHEMBL5592055 0.78 NPSR1 (0.41) OPRM1SLC6A2SLC6A4LMNANPSR1
SCHEMBL5384318 0.77 CCR5 (0.56) MEN1KMT2ACCR5POLBCHRM5
SCHEMBL3560864 0.73 POLB (0.61) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL6790349 0.73 SMN1; SMN2 (0.52) MEN1KMT2AOPRM1HTTSMN1; SMN2
SCHEMBL5889435 0.73 MEN1 (0.69) MEN1KMT2APOLBCHRM5SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 US disclosed
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 US disclosed
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 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-20090124635-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CCR2 MEN1 3241/4885KMT2A 3004/4885CCR5 1/4885

“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.