SCHEMBL1266626

SCHEMBL1266626

CC(=O)OC1CCC(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
PKM P14618 1/20 0.44
CHRM4 P08173 4/20 0.41
DRD2 P14416 4/20 0.41
HTR7 P34969 4/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38

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
SCHEMBL15450612 0.84 POLB (0.54) POLBPKMALDH1A1HPGDTSHR
SCHEMBL19302920 0.84 POLB (0.54) POLBPKMALDH1A1HPGDTSHR
SCHEMBL29602500 0.84 ALDH1A1 (0.39) POLBALDH1A1TSHRKDM4EMAPT
SCHEMBL9976868 0.79 POLB (0.55) POLBPKMCHRM4DRD2HTR7
SCHEMBL817976 0.79 IDO1 (0.56) POLBCHRM4DRD2HTR7HTR2C
SCHEMBL30908530 0.79 IDO1 (0.56) POLBCHRM4DRD2HTR7HTR2C
SCHEMBL19899145 0.75 KDM4E (0.64) POLBCHRM4DRD2HTR7ALDH1A1
SCHEMBL30661168 0.75 KDM4E (0.64) POLBCHRM4DRD2HTR7ALDH1A1
SCHEMBL8231940 0.74 ALDH1A1 (0.41) POLBPKMALDH1A1KDM4EMAPT
SCHEMBL28528387 0.73 POLB (0.57) POLBPKMCHRM4DRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
EP-2099800-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION Pharmacopeia, LLC (US) 2009-09-16 EP disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 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 (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-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression P2RX7, P2RX5, P2RY1 POLB 3181/4885PKM 3359/4885CHRM4 2608/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 POLB 3467/4885PKM 1882/4885CHRM4 1943/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 POLB 3467/4885PKM 1882/4885CHRM4 1943/4885

“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.