SCHEMBL3402933

SCHEMBL3402933

CN1Cc2cc(Cl)ccc2-n2c(nnc2N2CCC3(CC2)c2ccccc2CS3(=O)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.46
AVPR2 P30518 2/20 0.46
KCNH2 Q12809 2/20 0.46
OXTR P30559 1/20 0.40

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
SCHEMBL3397469 1.00 AVPR1A (0.46) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2360269 0.90 AVPR1A (0.45) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2359151 0.88 AVPR1A (0.45) AVPR1AAVPR2KCNH2OXTR
SCHEMBL3403106 0.85 AVPR1A (0.45) AVPR1AAVPR2KCNH2OXTR
SCHEMBL3400204 0.85 OXTR (0.48) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2360978 0.82 AVPR1A (0.48) AVPR1AAVPR2KCNH2
SCHEMBL3404148 0.82 AVPR1A (0.46) AVPR1AAVPR2KCNH2
SCHEMBL3399316 0.82 AVPR1A (0.46) AVPR1AAVPR2KCNH2
SCHEMBL13366419 0.80 AVPR1A (0.45) AVPR1AAVPR2KCNH2
SCHEMBL2359488 0.80 NPY5R (0.48) AVPR1AAVPR2KCNH2

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 6 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 claimed
EP-2356123-B1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2012-10-03 EP claimed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 US claimed
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 1/4885AVPR2 4/4885KCNH2 709/4885

“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.