Sugi Predict

Sugi Predict / Compounds / SCHEMBL2116337

SCHEMBL2116337

SCHEMBL2116337

[O]CCCN1CCCC(O)C1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ BCHE P06276 7/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.36
▸ SIGMAR1 Q99720 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
SCHEMBL27418663 0.93 HTR1A (0.46) HTR1AALDH1A1HRH3HRH2HRH1
SCHEMBL4295715 0.88 PDCD1 (0.48) HTR1AHRH3HRH2HRH1PDCD1
SCHEMBL1360021 0.88 PDCD1 (0.48) HTR1AHRH3HRH2HRH1PDCD1
SCHEMBL4295354 0.88 PDCD1 (0.48) HTR1AHRH3HRH2HRH1PDCD1
SCHEMBL2116341 0.82 HTR1A (0.49) HTR1AALDH1A1HRH3HRH2HRH1
SCHEMBL24114600 0.81 BCHE (0.51) HTR1AALDH1A1HRH3HRH2HRH1
SCHEMBL3758030 0.81 HTR1A (0.48) HTR1AALDH1A1HRH3HRH2HRH1
SCHEMBL6627539 0.81 BCHE (0.51) HTR1AALDH1A1HRH3HRH2HRH1
SCHEMBL17142474 0.81 HTR1A (0.48) HTR1AALDH1A1HRH3HRH2HRH1
SCHEMBL12157375 0.81 BCHE (0.51) HTR1AALDH1A1HRH3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 — — EP claimed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 — — US claimed
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 — — US disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 — — US disclosed
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 — — EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 — — US disclosed
US-7504416-B2 4-substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2009-03-17 — — US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 — — US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 — — US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 — — EP disclosed
US-20080027054-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB 2008-01-31 — — US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 — — EP disclosed
US-7253184-B2 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2007-08-07 — — US disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 — — US disclosed
US-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors ASTRAZENECA AB (SE) 2006-08-10 — — US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 — — EP disclosed
US-20050101630-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2005-05-12 — — US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 — — US disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 — — WO 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 (7 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-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors AURKA, AURKC, AURKB HTR1A 3565/4885ALDH1A1 2797/4885HRH3 2418/4885
US-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 HTR1A 14/4885ALDH1A1 596/4885HRH3 1/4885
US-20080027054-A1 4-Substituted quinolines as antitumor agents CCNY, TPD52L2, H1-10 HTR1A 1880/4885ALDH1A1 3317/4885HRH3 345/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB HTR1A 3949/4885ALDH1A1 3580/4885HRH3 1050/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB HTR1A 3969/4885ALDH1A1 3434/4885HRH3 1536/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 HTR1A 2491/4885ALDH1A1 402/4885HRH3 1333/4885
US-20050101630-A1 4-Substituted quinolines as antitumor agents NQO2, TPD52L2, MLX HTR1A 2299/4885ALDH1A1 2334/4885HRH3 464/4885

“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.