SCHEMBL4800640

SCHEMBL4800640

N#CC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCCC12Cc1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
HSD11B1 P28845 1/20 0.35
CYP2D6 P10635 7/20 0.35
TSHR P16473 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
METAP2 P50579 1/20 0.35
MCHR1 Q99705 1/20 0.35
CYP3A4 P08684 8/20 0.34
USP2 O75604 5/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MDM2 Q00987 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
SCHEMBL4796233 0.89 CNR1 (0.39) CNR1HSD11B1CYP2D6TSHRSMN1; SMN2
SCHEMBL4796818 0.89 CNR1 (0.37) CNR1HSD11B1CYP2D6TSHRSMN1; SMN2
SCHEMBL4799595 0.87 CYP3A4 (0.37) CNR1HSD11B1CYP2D6TSHRSMN1; SMN2
SCHEMBL4800830 0.87 CNR1 (0.36) CNR1HSD11B1CYP2D6TSHRSMN1; SMN2
SCHEMBL4799479 0.81 CNR1 (0.36) CNR1HSD11B1MCHR1MDM2
SCHEMBL4797278 0.81 CNR1 (0.35) CNR1CYP2D6TSHRSMN1; SMN2METAP2
SCHEMBL4845276 0.77 ITGAL (0.42) CNR1HSD11B1METAP2
SCHEMBL4849035 0.75 HSD11B1 (0.39) CNR1HSD11B1CYP2D6TSHRSMN1; SMN2
SCHEMBL4797574 0.74 TRPV4 (0.31) MDM2
SCHEMBL4797207 0.73 ITGAL (0.39)

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
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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-7375237-B2 Pyrrolizine compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-20 US disclosed
US-20060052434-A1 Pyrrolizine compounds useful as anti-inflammatory agents CEREP S.A. (FR) 2006-03-09 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-20060052434-A1 Pyrrolizine compounds useful as anti-inflammatory agents NFKBIA, TNF, NFKB1 CNR1 420/4885HSD11B1 1313/4885CYP2D6 1109/4885

“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.