SCHEMBL3400207

SCHEMBL3400207

Clc1ccc2c(c1)CNCc1nnc(N3CCCC4(CC3)OCc3ccccc34)n1-2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.47
DGAT1 O75907 1/20 0.42
OXTR P30559 1/20 0.40
OPRD1 P41143 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL12761093 0.96 AVPR1A (0.49) AVPR1ADGAT1OXTROPRD1
Hydrochloric Acid SCHEMBL3401538 0.96 AVPR1A (0.48) AVPR1ADGAT1OXTROPRD1
Hydrochloric Acid SCHEMBL3401535 0.96 AVPR1A (0.48) AVPR1ADGAT1OXTROPRD1
SCHEMBL12761144 0.88 AVPR1A (0.46) AVPR1ADGAT1OXTR
Hydrochloric Acid SCHEMBL2359999 0.87 AVPR1A (0.45) AVPR1ADGAT1OXTR
SCHEMBL12761100 0.86 AVPR1A (0.48) AVPR1ADGAT1OXTR
SCHEMBL13337840 0.85 AVPR1A (0.47) AVPR1A
SCHEMBL13337839 0.85 AVPR1A (0.47) AVPR1A
SCHEMBL2360277 0.85 AVPR1A (0.47) AVPR1A
Hydrochloric Acid SCHEMBL3400280 0.85 AVPR1A (0.47) AVPR1ADGAT1OXTR

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 AVPR1A 1/4885DGAT1 3907/4885OXTR 2/4885

“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.