SCHEMBL4800830

SCHEMBL4800830

CCC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCCC12Cc1ccc(C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CYP2D6 P10635 7/20 0.34
TSHR P16473 5/20 0.34
CYP3A4 P08684 4/20 0.34
HSD11B1 P28845 1/20 0.34
MCHR1 Q99705 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
METAP2 P50579 1/20 0.33
CYP2C9 P11712 3/20 0.33
USP2 O75604 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
PARG Q86W56 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4796818 0.88 CNR1 (0.37) CNR1CYP2D6TSHRCYP3A4HSD11B1
SCHEMBL4797207 0.87 ITGAL (0.39)
SCHEMBL4800640 0.87 CNR1 (0.37) CNR1CYP2D6TSHRCYP3A4HSD11B1
SCHEMBL4799595 0.86 CYP3A4 (0.37) CNR1CYP2D6TSHRCYP3A4HSD11B1
SCHEMBL4796233 0.86 CNR1 (0.39) CNR1CYP2D6TSHRCYP3A4HSD11B1
SCHEMBL4797065 0.82 TRPV4 (0.35) CNR1
SCHEMBL4797278 0.78 CNR1 (0.35) CNR1CYP2D6TSHRCYP3A4MCHR1
SCHEMBL4845276 0.74 ITGAL (0.42) CNR1HSD11B1METAP2
SCHEMBL4849035 0.73 HSD11B1 (0.39) CNR1CYP2D6TSHRCYP3A4HSD11B1
SCHEMBL4637430 0.72 TRPV4 (0.35) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375237-B2 Pyrrolizine compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-20 US claimed
US-20060052434-A1 Pyrrolizine compounds useful as anti-inflammatory agents CEREP S.A. (FR) 2006-03-09 US claimed

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-20060052434-A1 Pyrrolizine compounds useful as anti-inflammatory agents NFKBIA, TNF, NFKB1 CNR1 420/4885CYP2D6 1109/4885TSHR 3736/4885

“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.