SCHEMBL12294374

SCHEMBL12294374

CB(O)N1CCC(Nc2cc(C(=O)O)ccc2C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 4/20 0.43
▸ HCAR3 P49019 3/20 0.41
▸ FLT3 P36888 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ BTK Q06187 3/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ HSP90AB1 P08238 1/20 0.36
▸ RPS6KB1 P23443 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
SCHEMBL12294367 0.93 CREBBP (0.40) CREBBPHCAR3FLT3KDM4EPOLB
SCHEMBL2426799 0.84 HCAR3 (0.55) CREBBPHCAR3FLT3HSP90AA1
SCHEMBL2425142 0.81 JAK2 (0.49) CREBBPHCAR3BTK
SCHEMBL2426534 0.81 HCAR3 (0.57) CREBBPHCAR3FLT3
SCHEMBL2426793 0.81 HCAR3 (0.57) CREBBPHCAR3FLT3
SCHEMBL12294399 0.80 HSP90AA1 (0.43) CREBBPHSP90AA1HSP90AB1
SCHEMBL2424448 0.80 HCAR3 (0.56) CREBBPHCAR3FLT3
SCHEMBL13885493 0.80 CREBBP (0.40) CREBBPHCAR3FLT3KDM4EPOLB
SCHEMBL2422536 0.79 HSP90AA1 (0.53) HCAR3HSP90AA1HSP90AB1
SCHEMBL2422533 0.79 HSP90AA1 (0.53) HCAR3HSP90AA1HSP90AB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 CREBBP 1654/4885HCAR3 1036/4885FLT3 3240/4885

“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.

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