Sugi Predict

Sugi Predict / Compounds / SCHEMBL10169416

SCHEMBL10169416

SCHEMBL10169416

CCOC(=O)CC1CCCN(C(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ KCNH2 Q12809 3/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GHSR Q92847 2/20 0.34

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
SCHEMBL25872173 0.84 MGAM (0.39) POLBKMT2AALDH1A1TSHRL3MBTL1
SCHEMBL2607044 0.81 SMN1; SMN2 (0.45) POLBKMT2AALDH1A1CYP2D6L3MBTL1
SCHEMBL2603283 0.81 POLB (0.38) POLBKCNH2KMT2ACYP2D6CASP6
SCHEMBL16768020 0.80 CCR2 (0.40) KCNH2CCR2CYP2D6KDM2BGHSR
SCHEMBL29108912 0.80 CCR2 (0.40) KCNH2CCR2CYP2D6KDM2BGHSR
SCHEMBL17190310 0.80 KCNH2 (0.40) KCNH2CCR2CYP2D6KDM2BGHSR
SCHEMBL11088727 0.79 ALDH1A1 (0.45) POLBALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL20284261 0.79 POLB (0.39) POLBKMT2AALDH1A1KDM4ETSHR
SCHEMBL14388165 0.79 USP14 (0.42) POLBKCNH2CCR2ALDH1A1CYP2D6
SCHEMBL18875745 0.78 KCNH2 (0.40) KCNH2CCR2CYP2D6KDM2BGHSR

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-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 — — US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 — — US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 — — US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 — — US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — 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 (3 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A POLB 1178/4885KCNH2 3476/4885CCR2 4275/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT POLB 2024/4885KCNH2 3180/4885CCR2 1302/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A POLB 1178/4885KCNH2 3476/4885CCR2 4275/4885

“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.