SCHEMBL2389491

SCHEMBL2389491

CCOC(=O)c1ccc(N2CCN(Cc3ccccc3C3=C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ BCL2 P10415 6/20 0.41
▸ BAK1 Q16611 6/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 1/20 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
SCHEMBL2389494 1.00 TSHR (0.44) TSHRALDH1A1BCL2BAK1HTR7
SCHEMBL2388286 0.88 HTR7 (0.44) BCL2BAK1HTR7BCL2L1HTT
SCHEMBL2388291 0.88 HTR7 (0.44) BCL2BAK1HTR7BCL2L1HTT
SCHEMBL9988519 0.78 HTR7 (0.67) TSHRALDH1A1BCL2BAK1HTR7
SCHEMBL1743631 0.75 BCL2 (0.68) BCL2BAK1HTR7DRD2DRD4
SCHEMBL1742187 0.74 ALDH1A1 (0.55) TSHRALDH1A1DRD2DRD4DRD3
SCHEMBL2388861 0.74 PRMT1 (0.57) TSHRALDH1A1BCL2BAK1DRD2
SCHEMBL8077183 0.74 ALDH1A1 (0.55) TSHRALDH1A1DRD2DRD4DRD3
SCHEMBL2389687 0.73 MEN1 (0.52) TSHRALDH1A1DRD2DRD4DRD3
SCHEMBL2387482 0.72 ALDH1A1 (0.49) TSHRALDH1A1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 — — EP disclosed
EP-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 — — EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 — — EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 — — US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 — — US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 — — US disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 — — 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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 TSHR 3724/4885ALDH1A1 4257/4885BCL2 1/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 TSHR 3724/4885ALDH1A1 4257/4885BCL2 1/4885

“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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