SCHEMBL5964489

SCHEMBL5964489

CCNCC1=C(c2ccc(Br)cc2)C(=O)NC12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.40
AKR1B1 P15121 2/20 0.40
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PDE7B Q9NP56 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5963585 0.90 POLB (0.42) AKR1B1LMNAPDE7BPOLBRAB9A
SCHEMBL5963658 0.88 AKR1B1 (0.40) FPR2AKR1B1LMNAPDE7BKMT2A
SCHEMBL5963527 0.88 ALDH1A1 (0.42) LMNAPDE7BPOLBRAB9AKMT2A
SCHEMBL5963733 0.88 PDE7A (0.41) LMNAPDE7BCTSLCTSBCTSS
SCHEMBL5963932 0.88 KMT2A (0.40) LMNAPDE7BPOLBKMT2A
SCHEMBL5963923 0.86 AKR1B1 (0.43) AKR1B1KMT2A
SCHEMBL5963591 0.82 SLC6A4 (0.43) AKR1B1PDE7BKMT2A
SCHEMBL5963723 0.82 FPR2 (0.39) FPR2AKR1B1LMNAOPRM1OPRD1
SCHEMBL5963322 0.81 FPR2 (0.35) FPR2LMNA
SCHEMBL5963769 0.79 PDE7B (0.39) AKR1B1PDE7B

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-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US disclosed
US-20040058971-A1 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY 2004-03-25 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-20040058971-A1 Substituted dipeptides as growth hormone secretagogues GHSR, GHRHR, SSTR4 FPR2 2452/4885AKR1B1 4086/4885LMNA 4666/4885

“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.