SCHEMBL5371762

SCHEMBL5371762

O=C(OCc1ccccc1)N1CCN(c2ccccc2OC2CCNCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CYP2C19 P33261 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ HRH1 P35367 2/20 0.47
▸ SLC29A1 Q99808 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ GRIN2B Q13224 1/20 0.45
▸ NMT1 P30419 1/20 0.45

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
SCHEMBL5365975 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL3577152 0.83 HRH1 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTR1A
SCHEMBL30963412 0.79 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5382295 0.79 PDE4B (0.49) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL19212301 0.78 L3MBTL1 (0.60) SMN1; SMN2HTR1AMEN1KMT2ANPSR1
SCHEMBL3970461 0.77 MEN1 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19SLC29A1
SCHEMBL4588381 0.77 MEN1 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19SLC29A1
SCHEMBL519379 0.77 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTR1A
SCHEMBL1937457 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19SLC29A1
SCHEMBL3963846 0.77 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 — — US disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 — — EP disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 — — 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-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R SMN1; SMN2 3078/4885NPC1 2298/4885RAB9A 1469/4885

“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.

Send feedback