SCHEMBL306555

SCHEMBL306555

O=C(O)NCC1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
P2RX7 Q99572 15/20 0.44
TDP1 Q9NUW8 1/20 0.42
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
IL1B P01584 4/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL21244562 0.85 KDM5A (0.40) CYP2D6P2RX7TDP1CHRM2CHRM1
SCHEMBL23194520 0.85 P2RX7 (0.40) CYP2D6P2RX7TDP1CHRM2CHRM1
SCHEMBL16891748 0.82 PSEN1 (0.41) P2RX7TDP1IL1BHSD17B13
SCHEMBL217411 0.80
SCHEMBL4396576 0.80 CYP2D6 (0.63) CYP2D6TDP1EPHX1
SCHEMBL4396572 0.80 CYP2D6 (0.63) CYP2D6TDP1EPHX1
SCHEMBL2596646 0.80 CYP2D6 (0.50) CYP2D6TDP1EPHX1
SCHEMBL2596648 0.80 CYP2D6 (0.50) CYP2D6TDP1EPHX1
SCHEMBL18213837 0.79 P2RX7 (0.39) P2RX7TDP1IL1B
SCHEMBL26090599 0.79 APLNR (0.44) CYP2D6P2RX7TDP1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897864-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2024-02-13 US disclosed
US-20240043404-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2024-02-08 US disclosed
EP-2435432-B3 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE IRELAND UNLIMITED CO (BM) 2023-10-25 EP disclosed
EP-4218731-A2 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT AbbVie Ireland Unlimited Company (IE) 2023-08-02 EP disclosed
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 US disclosed
EP-3990451-A1 FUSED IMIDAZOLE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2022-05-04 EP disclosed
US-20220125796-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC (US) 2022-04-28 US disclosed
US-20210221789-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2021-07-22 US disclosed
WO-2020260425-A1 FUSED IMIDAZOLE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-12-30 WO disclosed
US-20200231566-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2020-07-23 US disclosed
EP-1797076-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2007-06-20 EP disclosed
EP-1797077-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I AstraZeneca AB (SE) 2007-06-20 EP disclosed
EP-1797078-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III AstraZeneca AB (SE) 2007-06-20 EP disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1670769-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2006033631-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
WO-2006033630-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
WO-2006033628-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
WO-2005030732-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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 (8 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-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CYP2D6 86/4885P2RX7 55/4885TDP1 3049/4885
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885P2RX7 4686/4885TDP1 2518/4885
US-20210221789-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885P2RX7 4686/4885TDP1 2518/4885
US-20220125796-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 CYP2D6 3049/4885P2RX7 4875/4885TDP1 1952/4885
US-11897864-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases BCL2, BAX, BCL3 CYP2D6 4646/4885P2RX7 4686/4885TDP1 2518/4885
US-20200231566-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885P2RX7 4686/4885TDP1 2518/4885
US-20240043404-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP2D6 4646/4885P2RX7 4686/4885TDP1 2518/4885
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 CYP2D6 69/4885P2RX7 123/4885TDP1 3270/4885

“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.