SCHEMBL5313889

SCHEMBL5313889

CN1CCC2(CC1)C(=O)Nc1ccc(N)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.43
IP6K1 Q92551 6/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
MET P08581 2/20 0.43
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
AURKB Q96GD4 2/20 0.41
CA9 Q16790 1/20 0.41
MAPK14 Q16539 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
SCHEMBL22271500 0.87 PGR (0.53) PGRIP6K1IP6K3IP6K2CA9
SCHEMBL20269069 0.84 PGR (0.55) PGRIP6K1
SCHEMBL16830171 0.84 PGR (0.55) PGRIP6K1
SCHEMBL31430234 0.84 ADRA2B (0.50) PGRIP6K1IP6K3IP6K2HTR1A
SCHEMBL26025725 0.84 PGR (0.55) PGRIP6K1IP6K3IP6K2HTR1A
SCHEMBL2213581 0.84 ADRA2B (0.50) PGRIP6K1IP6K3IP6K2HTR1A
SCHEMBL12598497 0.83 PGR (0.56) PGR
SCHEMBL8320710 0.81 AKR1B1 (0.49) PGRIP6K1IP6K3IP6K2MET
SCHEMBL24508357 0.80 IP6K1 (0.67) PGRIP6K1IP6K3IP6K2HTR1A
SCHEMBL25900353 0.80 PGR (0.55) PGRIP6K1IP6K3IP6K2

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
EP-1817310-A1 (SPIROCYCLYLAMIDO) AMINOTHIOPHENE COMPOUNDS AS C-KIT PROTO-ONCOGENE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
WO-2006034015-A1 (SPIROCYCLYLAMIDO) AMINOTHIOPHENE COMPOUNDS AS C-KIT PROTO- ONCOGENE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds OSI PHARMACEUTICALS, INC. 2006-03-23 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-20060063791-A1 (Spirocyclylamido)aminothiophene compounds KIT, BRDT, MALT1 PGR 887/4885IP6K1 4158/4885IP6K3 4034/4885

“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.