SCHEMBL5337966

SCHEMBL5337966

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2CN2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
ABHD6 Q9BV23 3/20 0.45
PLA2G7 Q13093 1/20 0.45
PDK2 Q15119 1/20 0.43
P2RX7 Q99572 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
AKR1C3 P42330 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL17276635 0.96 MGLL (0.50) MGLLABHD6PLA2G7PDK2P2RX7
SCHEMBL18064869 0.86 MGLL (0.49) MGLLABHD6PLA2G7PDK2P2RX7
SCHEMBL28654424 0.86 MGLL (0.49) MGLLABHD6PLA2G7PDK2P2RX7
SCHEMBL19582600 0.85 MGLL (0.48) MGLLALDH1A1CYP2D6
SCHEMBL29417794 0.85 MGLL (0.48) MGLLALDH1A1CYP2D6
SCHEMBL5366271 0.84 MGLL (0.49) MGLLABHD6PLA2G7P2RX7MAPT
SCHEMBL3072141 0.82 PDK2 (0.47) PDK2P2RX7MAPTALDH1A1AKR1C3
SCHEMBL20818495 0.81 AKR1C3 (0.60) PDK2AKR1C3TRPV1
SCHEMBL31694435 0.81 AKR1C3 (0.60) PDK2AKR1C3TRPV1
SCHEMBL17276631 0.81 MGLL (0.47) MGLLABHD6PLA2G7P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R MGLL 986/4885ABHD6 1367/4885PLA2G7 1585/4885

“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.