SCHEMBL12385846

SCHEMBL12385846

C[C@H]1CC[C@H](N2CCC(O)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ IRAK4 Q9NWZ3 4/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30

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
SCHEMBL14175002 1.00 KDM4E (0.40) KDM4EALDH1A1ALOX15POLBLMNA
SCHEMBL16362467 1.00 KDM4E (0.40) KDM4EALDH1A1ALOX15POLBLMNA
SCHEMBL1928970 0.89 — —
SCHEMBL25633196 0.89 — —
SCHEMBL17900496 0.84 KDM4E (0.39) KDM4EALDH1A1ALOX15POLBLMNA
SCHEMBL986628 0.79 OPRM1 (0.34) ALDH1A1CYP2C9IRAK4KMT2AMEN1
SCHEMBL897562 0.79 OPRM1 (0.34) ALDH1A1CYP2C9IRAK4KMT2AMEN1
SCHEMBL988738 0.79 DPP4 (0.37) POLBLMNAKMT2AMEN1DPP4
SCHEMBL897563 0.79 OPRM1 (0.34) ALDH1A1CYP2C9IRAK4KMT2AMEN1
SCHEMBL989317 0.79 DPP4 (0.37) POLBLMNAKMT2AMEN1DPP4

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 — — US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KDM4E 2333/4885ALDH1A1 1168/4885ALOX15 1384/4885

“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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