SCHEMBL2360947

SCHEMBL2360947

Clc1ccc2c(c1)CNCc1nnc(N3CCC4(CC3)COCc3ccccc34)n1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.44
KCNH2 Q12809 1/20 0.35
TRPA1 O75762 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
DGAT1 O75907 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31

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 0.85 AVPR1A (0.49) AVPR1ADGAT1
SCHEMBL3403323 0.85 AVPR1A (0.45) AVPR1AKCNH2
Hydrochloric Acid SCHEMBL3401535 0.85 AVPR1A (0.48) AVPR1ADGAT1
Hydrochloric Acid SCHEMBL3401538 0.85 AVPR1A (0.48) AVPR1ADGAT1
SCHEMBL3400207 0.82 AVPR1A (0.47) AVPR1ADGAT1
SCHEMBL12761144 0.80 AVPR1A (0.46) AVPR1AKCNH2DGAT1
SCHEMBL2360607 0.80 AVPR1A (0.45) AVPR1AKCNH2GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL2359999 0.80 AVPR1A (0.45) AVPR1AKCNH2DGAT1
SCHEMBL3403106 0.79 AVPR1A (0.45) AVPR1AKCNH2GABRPGABRDGABRA1
SCHEMBL3403101 0.79 AVPR1A (0.44) AVPR1AKCNH2GABRPGABRDGABRA1

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
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
EP-2356123-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010054961-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO 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 1/4885KCNH2 709/4885TRPA1 1413/4885

“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.