SCHEMBL2270824

SCHEMBL2270824

N#Cc1cccc(C2(O)CCNCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.46
▸ DRD3 P35462 2/20 0.45
▸ HSD11B1 P28845 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GRIN2B Q13224 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ PKLR P30613 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ VNN1 O95497 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
SCHEMBL612068 0.81 HSD11B1 (0.42) HSD11B1ENPP2CNR2GRIN2BGSK3B
SCHEMBL17888200 0.80 KMT2A (0.45) DRD2DRD3OPRM1CNR2OPRD1
SCHEMBL21077929 0.80 CNR2 (0.44) DRD2DRD3HSD11B1ENPP2OPRM1
SCHEMBL652461 0.79 DRD2 (0.62) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL654295 0.79 DRD2 (0.61) DRD2ENPP2OPRM1OPRD1OPRK1
Ethylene SCHEMBL4673777 0.78 HSD11B1 (0.40) HSD11B1ENPP2OPRM1CNR2GRIN2B
SCHEMBL613625 0.78 HSD11B1 (0.38) HSD11B1ENPP2OPRM1CNR2GRIN2B
SCHEMBL6681808 0.77 DRD2 (0.50) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL17886585 0.77 OPRM1 (0.46) DRD2DRD3HSD11B1OPRM1CNR2
SCHEMBL5387141 0.76 PKLR (0.48) HSD11B1OPRM1CNR2GRIN2BOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 — — EP disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 — — EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 — — US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 — — US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 — — US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 — — US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 — — US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 — — US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 — — US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 — — EP disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 — — EP disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 — — 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 (4 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 DRD2 3805/4885DRD3 3346/4885HSD11B1 137/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885DRD3 4350/4885HSD11B1 3719/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885DRD3 4350/4885HSD11B1 3719/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 DRD2 1084/4885DRD3 1374/4885HSD11B1 986/4885

“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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