SCHEMBL3508501

SCHEMBL3508501

COc1cc(OC)c(CN2CCC3(CC2)C(=O)N(CC2CCCCC2)C(=O)N3c2ccccc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.46
OPRL1 P41146 12/20 0.45
MCHR1 Q99705 4/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRK1 P41145 6/20 0.42
OPRD1 P41143 1/20 0.41
BACE1 P56817 1/20 0.39

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
SCHEMBL2452290 0.85 OPRL1 (0.45) OPRM1OPRL1MCHR1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL2452777 0.84 OPRL1 (0.44) OPRM1OPRL1MCHR1MEN1ALDH1A1
SCHEMBL3506493 0.82 OPRM1 (0.45) OPRM1OPRL1MCHR1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL2453483 0.81 CCR8 (0.43) OPRM1OPRL1MCHR1MEN1ALDH1A1
SCHEMBL2450107 0.81 CCR5 (0.47) OPRM1OPRL1MCHR1OPRK1
SCHEMBL2454040 0.71 OPRL1 (0.45) OPRM1OPRL1MCHR1MEN1KMT2A
SCHEMBL2454412 0.70 MEN1 (0.45) MCHR1MEN1ALDH1A1KMT2A
SCHEMBL2449813 0.70 CCR5 (0.45) OPRL1MCHR1MEN1KMT2A
SCHEMBL2446499 0.70 MEN1 (0.44) MCHR1MEN1ALDH1A1KMT2A
SCHEMBL2451615 0.69 ALDH1A1 (0.47) MCHR1MEN1ALDH1A1KMT2A

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-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 US disclosed
EP-1619193-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP 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 (2 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-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF CCR1, CCR7, CCR3 OPRM1 436/4885OPRL1 390/4885MCHR1 1882/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 OPRM1 436/4885OPRL1 390/4885MCHR1 1882/4885

“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.