SCHEMBL628269

SCHEMBL628269

CC(C)n1cc(I)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
ADORA1 P30542 1/20 0.38
PTGS2 P35354 1/20 0.36
BMPR1A P36894 14/20 0.35
ACVRL1 P37023 14/20 0.35
ACVR1 Q04771 14/20 0.35
BMPR1B O00238 13/20 0.35
TGFBR1 P36897 12/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL25974996 0.78 PTGS2 (0.49) PTGS2
SCHEMBL1106491 0.76 KDM4E (0.44) ADORA2AADORA1PTGS2BMPR1AACVRL1
SCHEMBL27446368 0.74 PTGS2 (0.40) ADORA2AADORA1PTGS2BMPR1AACVRL1
SCHEMBL10119732 0.74 PTGS2 (0.47) ADORA2AADORA1PTGS2BMPR1AACVRL1
SCHEMBL20048155 0.74 ADORA2A (0.44) ADORA2AADORA1PTGS2BMPR1AACVRL1
SCHEMBL506044 0.74 ADORA2A (0.38) ADORA2AADORA1PTGS2BMPR1AACVRL1
SCHEMBL1106469 0.74 PTGDR2 (0.42) ADORA2AADORA1PTGS2BMPR1AACVRL1
SCHEMBL14757564 0.74 ADORA2A (0.38) ADORA2AADORA1PTGS2BMPR1AACVRL1
SCHEMBL1106476 0.74 ADORA2A (0.51) ADORA2AADORA1PTGS2BMPR1AACVRL1
SCHEMBL31313750 0.71 TYR (0.42) ADORA2AADORA1PTGS2BMPR1AACVRL1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
EP-2760854-B1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ASANA BIOSCIENCES LLC (US) 2017-08-30 EP disclosed
EP-2760854-B1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ASANA BIOSCIENCES LLC (US) 2017-08-30 EP disclosed
US-9199975-B2 Biaryl imidazole derivatives for regulating CYP17 ASANA BIOSCIENCES, LLC (US) 2015-12-01 US disclosed
US-9199975-B2 Biaryl imidazole derivatives for regulating CYP17 ASANA BIOSCIENCES, LLC (US) 2015-12-01 US disclosed
US-9199975-B2 Biaryl imidazole derivatives for regulating CYP17 ASANA BIOSCIENCES, LLC (US) 2015-12-01 US disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
EP-2760854-A1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER Endo Pharmaceuticals Inc. (US) 2014-08-06 EP disclosed
US-20130085164-A1 Imidazole Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
CN-102459225-A 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2012-05-16 CN disclosed
EP-2419417-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 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 (2 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-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ADORA2A 244/4885ADORA1 163/4885PTGS2 341/4885
US-20130085164-A1 Imidazole Derivatives CYP17A1, CYP2A7, CYP11B1 ADORA2A 4382/4885ADORA1 4067/4885PTGS2 896/4885

“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.