SCHEMBL3822308

SCHEMBL3822308

OC1(c2ccc(F)cc2)CCCC1CN1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRL1 P41146 4/20 0.40
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
DRD2 P14416 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TRPA1 O75762 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
KMT2A Q03164 2/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3992914 0.99 OPRM1 (0.38) OPRM1OPRL1GRIN2DGRIN3BDRD2
SCHEMBL3820723 0.96 OPRM1 (0.42) OPRM1OPRL1GRIN2DGRIN3BDRD2
SCHEMBL3992418 0.96 OPRM1 (0.42) OPRM1OPRL1GRIN2DGRIN3BDRD2
SCHEMBL3825289 0.96 OPRM1 (0.42) OPRM1OPRL1GRIN2DGRIN3BDRD2
SCHEMBL3821321 0.86 OPRM1 (0.56) OPRM1OPRL1SIGMAR1KMT2ATP53
SCHEMBL3824513 0.86 KMT2A (0.43) OPRM1OPRL1SIGMAR1KMT2ASLC6A3
SCHEMBL3825485 0.86 NPY1R (0.41) OPRM1OPRL1SIGMAR1KMT2AOPRK1
SCHEMBL3990437 0.84 KMT2A (0.44) OPRM1OPRL1SLC6A9SLC6A5KMT2A
SCHEMBL3993473 0.84 OPRM1 (0.53) OPRM1OPRL1SIGMAR1KMT2ATP53
SCHEMBL3444024 0.84 SLC6A2 (0.46) OPRM1OPRL1TRPA1SLC6A9SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496890-B1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2009-09-02 EP claimed
US-7507816-B2 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2009-03-24 US claimed
US-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2005-01-27 US claimed
US-7507816-B2 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2009-03-24 US disclosed
US-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2005-01-27 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-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols ADRB1, ADRB2, ADRA1D OPRM1 36/4885OPRL1 23/4885GRIN2D 1165/4885

“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.