SCHEMBL3403510

SCHEMBL3403510

c1ccc2c(c1)CCOC21CC[N]CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
TMEM97 Q5BJF2 2/20 0.49
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
AVPR1A P37288 2/20 0.37
CCR2 P41597 1/20 0.36

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
SCHEMBL238660 0.82 OPRD1 (0.48) SIGMAR1OPRD1AVPR1A
SCHEMBL6346542 0.79 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL6346561 0.79 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL30484433 0.79 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL1588897 0.79 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL14154427 0.78 SIGMAR1 (0.65) SIGMAR1TMEM97CCR2
SCHEMBL30623485 0.78 SIGMAR1 (0.69) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL29531860 0.77 SIGMAR1 (0.52) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL17014522 0.75 SIGMAR1 (0.50) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL29204433 0.74 SIGMAR1 (0.60) SIGMAR1TMEM97OPRM1OPRD1OPRK1

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-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
EP-2356123-B1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2012-10-03 EP disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 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-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES AVPR1A, OXTR, AVPR1B SIGMAR1 123/4885TMEM97 257/4885OPRM1 31/4885

“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.